1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine

C113H221N13 — CID 167550389

IUPAC1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine
SMILESCCC1CC(CN2CC(C)C2)C1.CCC1CC(CN2CCC(C)CC2)C1.CCC1CC(CN2CC[C@H](C)C2)C1.CCC1CCC(CN2CCC(C)CC2)CC1.CCC1CCC(CN2CC[C@H](C)C2)CC1.CNC1CCC(CN2CC(C)C2)C1.CNC1CCC(CN2CC(C)C2)CC1.CNC1CCC(CN2CCC(C)CC2)C1.CNC1CCC(CN2CC[C@H](C)C2)C1
InChIInChI=1S/C15H29N.C14H27N.C13H26N2.C13H25N.2C12H24N2.C12H23N.C11H22N2.C11H21N/c1-3-14-4-6-15(7-5-14)12-16-10-8-13(2)9-11-16;1-3-13-4-6-14(7-5-13)11-15-9-8-12(2)10-15;1-11-5-7-15(8-6-11)10-12-3-4-13(9-12)14-2;1-3-12-8-13(9-12)10-14-6-4-11(2)5-7-14;1-10-7-14(8-10)9-11-3-5-12(13-2)6-4-11;1-10-5-6-14(8-10)9-11-3-4-12(7-11)13-2;1-3-11-6-12(7-11)9-13-5-4-10(2)8-13;1-9-6-13(7-9)8-10-3-4-11(5-10)12-2;1-3-10-4-11(5-10)8-12-6-9(2)7-12/h13-15H,3-12H2,1-2H3;12-14H,3-11H2,1-2H3;11-14H,3-10H2,1-2H3;11-13H,3-10H2,1-2H3;2*10-13H,3-9H2,1-2H3;10-12H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3/t;12-,13?,14?;;;;2*10-,11?,12?;;/m.0...00../s1
InChIKeyCICGQWXEKFWKBS-YALBLKDRSA-N
MW1762.10 g/mol
LogP22.64
Rot. Bonds27

About 1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine

1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine (PubChem CID 167550389) has the molecular formula C113H221N13 and a molecular weight of 1762.10 g/mol. Its IUPAC name is 1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine
PubChem CID167550389
Molecular FormulaC113H221N13
Molecular Weight1762.10 g/mol
Exact Mass1760.77
IUPAC Name1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine
SMILESCCC1CC(CN2CC(C)C2)C1.CCC1CC(CN2CCC(C)CC2)C1.CCC1CC(CN2CC[C@H](C)C2)C1.CCC1CCC(CN2CCC(C)CC2)CC1.CCC1CCC(CN2CC[C@H](C)C2)CC1.CNC1CCC(CN2CC(C)C2)C1.CNC1CCC(CN2CC(C)C2)CC1.CNC1CCC(CN2CCC(C)CC2)C1.CNC1CCC(CN2CC[C@H](C)C2)C1
InChIInChI=1S/C15H29N.C14H27N.C13H26N2.C13H25N.2C12H24N2.C12H23N.C11H22N2.C11H21N/c1-3-14-4-6-15(7-5-14)12-16-10-8-13(2)9-11-16;1-3-13-4-6-14(7-5-13)11-15-9-8-12(2)10-15;1-11-5-7-15(8-6-11)10-12-3-4-13(9-12)14-2;1-3-12-8-13(9-12)10-14-6-4-11(2)5-7-14;1-10-7-14(8-10)9-11-3-5-12(13-2)6-4-11;1-10-5-6-14(8-10)9-11-3-4-12(7-11)13-2;1-3-11-6-12(7-11)9-13-5-4-10(2)8-13;1-9-6-13(7-9)8-10-3-4-11(5-10)12-2;1-3-10-4-11(5-10)8-12-6-9(2)7-12/h13-15H,3-12H2,1-2H3;12-14H,3-11H2,1-2H3;11-14H,3-10H2,1-2H3;11-13H,3-10H2,1-2H3;2*10-13H,3-9H2,1-2H3;10-12H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3/t;12-,13?,14?;;;;2*10-,11?,12?;;/m.0...00../s1
InChIKeyCICGQWXEKFWKBS-YALBLKDRSA-N
XLogP22.64
TPSA77.28 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds27
Heavy Atoms126
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001762.10
LogP ≤ 522.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine?
The IUPAC name of 1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine (CID 167550389) is 1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine is CCC1CC(CN2CC(C)C2)C1.CCC1CC(CN2CCC(C)CC2)C1.CCC1CC(CN2CC[C@H](C)C2)C1.CCC1CCC(CN2CCC(C)CC2)CC1.CCC1CCC(CN2CC[C@H](C)C2)CC1.CNC1CCC(CN2CC(C)C2)C1.CNC1CCC(CN2CC(C)C2)CC1.CNC1CCC(CN2CCC(C)CC2)C1.CNC1CCC(CN2CC[C@H](C)C2)C1.
What is the InChIKey of 1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine?
The InChIKey is CICGQWXEKFWKBS-YALBLKDRSA-N. The full InChI is InChI=1S/C15H29N.C14H27N.C13H26N2.C13H25N.2C12H24N2.C12H23N.C11H22N2.C11H21N/c1-3-14-4-6-15(7-5-14)12-16-10-8-13(2)9-11-16;1-3-13-4-6-14(7-5-13)11-15-9-8-12(2)10-15;1-11-5-7-15(8-6-11)10-12-3-4-13(9-12)14-2;1-3-12-8-13(9-12)10-14-6-4-11(2)5-7-14;1-10-7-14(8-10)9-11-3-5-12(13-2)6-4-11;1-10-5-6-14(8-10)9-11-3-4-12(7-11)13-2;1-3-11-6-12(7-11)9-13-5-4-10(2)8-13;1-9-6-13(7-9)8-10-3-4-11(5-10)12-2;1-3-10-4-11(5-10)8-12-6-9(2)7-12/h13-15H,3-12H2,1-2H3;12-14H,3-11H2,1-2H3;11-14H,3-10H2,1-2H3;11-13H,3-10H2,1-2H3;2*10-13H,3-9H2,1-2H3;10-12H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3/t;12-,13?,14?;;;;2*10-,11?,12?;;/m.0...00../s1.
What are the key properties of 1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine?
1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine has a molecular weight of 1762.10 g/mol, XLogP of 22.64, 27 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 167550389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).