1,3-di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-fluoro-1,4-di(propan-2-yl)pyrrolidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine

C134H277FN12 — CID 163681645

IUPAC1,3-di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-fluoro-1,4-di(propan-2-yl)pyrrolidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CN(C(C)C)CC1F.CC(C)CC12CCC(CC1)N2C(C)C.CC(C)CC1CCCCN1C(C)C.CC(C)CC1CCCN(C(C)C)C1.CC(C)CC1CCCN1C(C)C.CC(C)CC1CCN(C(C)C)C1.CC(C)CC1CCN1C(C)C.CC(C)CC1CN(C(C)C)C1.CC(C)N1CCCC(C)(C(C)C)C1
InChIInChI=1S/C13H25N.4C12H25N.3C11H23N.C10H20FN.3C10H21N/c1-10(2)9-13-7-5-12(6-8-13)14(13)11(3)4;1-10(2)12(5)7-6-8-13(9-12)11(3)4;1-10(2)8-12-6-5-7-13(9-12)11(3)4;1-10(2)12-7-5-6-8-13(9-12)11(3)4;1-10(2)9-12-7-5-6-8-13(12)11(3)4;1-9(2)7-11-5-6-12(8-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)8-11-6-5-7-12(11)10(3)4;1-7(2)9-5-12(8(3)4)6-10(9)11;1-8(2)5-10-6-11(7-10)9(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)7-10-5-6-11(10)9(3)4/h10-12H,5-9H2,1-4H3;10-11H,6-9H2,1-5H3;3*10-12H,5-9H2,1-4H3;3*9-11H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3;3*8-10H,5-7H2,1-4H3
InChIKeyJLIMXOAKQYRVKA-UHFFFAOYSA-N
MW2075.77 g/mol
LogP34.20
Rot. Bonds31

About 1,3-di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-fluoro-1,4-di(propan-2-yl)pyrrolidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine

1,3-di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-fluoro-1,4-di(propan-2-yl)pyrrolidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine (PubChem CID 163681645) has the molecular formula C134H277FN12 and a molecular weight of 2075.77 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-fluoro-1,4-di(propan-2-yl)pyrrolidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1,3-di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-fluoro-1,4-di(propan-2-yl)pyrrolidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
PubChem CID163681645
Molecular FormulaC134H277FN12
Molecular Weight2075.77 g/mol
Exact Mass2074.20
IUPAC Name1,3-di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-fluoro-1,4-di(propan-2-yl)pyrrolidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CN(C(C)C)CC1F.CC(C)CC12CCC(CC1)N2C(C)C.CC(C)CC1CCCCN1C(C)C.CC(C)CC1CCCN(C(C)C)C1.CC(C)CC1CCCN1C(C)C.CC(C)CC1CCN(C(C)C)C1.CC(C)CC1CCN1C(C)C.CC(C)CC1CN(C(C)C)C1.CC(C)N1CCCC(C)(C(C)C)C1
InChIInChI=1S/C13H25N.4C12H25N.3C11H23N.C10H20FN.3C10H21N/c1-10(2)9-13-7-5-12(6-8-13)14(13)11(3)4;1-10(2)12(5)7-6-8-13(9-12)11(3)4;1-10(2)8-12-6-5-7-13(9-12)11(3)4;1-10(2)12-7-5-6-8-13(9-12)11(3)4;1-10(2)9-12-7-5-6-8-13(12)11(3)4;1-9(2)7-11-5-6-12(8-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)8-11-6-5-7-12(11)10(3)4;1-7(2)9-5-12(8(3)4)6-10(9)11;1-8(2)5-10-6-11(7-10)9(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)7-10-5-6-11(10)9(3)4/h10-12H,5-9H2,1-4H3;10-11H,6-9H2,1-5H3;3*10-12H,5-9H2,1-4H3;3*9-11H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3;3*8-10H,5-7H2,1-4H3
InChIKeyJLIMXOAKQYRVKA-UHFFFAOYSA-N
XLogP34.20
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds31
Heavy Atoms147
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002075.77
LogP ≤ 534.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1,3-di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-fluoro-1,4-di(propan-2-yl)pyrrolidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-fluoro-1,4-di(propan-2-yl)pyrrolidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of 1,3-di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-fluoro-1,4-di(propan-2-yl)pyrrolidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine (CID 163681645) is 1,3-di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-fluoro-1,4-di(propan-2-yl)pyrrolidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1,3-di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-fluoro-1,4-di(propan-2-yl)pyrrolidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 1,3-di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-fluoro-1,4-di(propan-2-yl)pyrrolidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine is CC(C)C1CCCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CN(C(C)C)CC1F.CC(C)CC12CCC(CC1)N2C(C)C.CC(C)CC1CCCCN1C(C)C.CC(C)CC1CCCN(C(C)C)C1.CC(C)CC1CCCN1C(C)C.CC(C)CC1CCN(C(C)C)C1.CC(C)CC1CCN1C(C)C.CC(C)CC1CN(C(C)C)C1.CC(C)N1CCCC(C)(C(C)C)C1.
What is the InChIKey of 1,3-di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-fluoro-1,4-di(propan-2-yl)pyrrolidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine?
The InChIKey is JLIMXOAKQYRVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.4C12H25N.3C11H23N.C10H20FN.3C10H21N/c1-10(2)9-13-7-5-12(6-8-13)14(13)11(3)4;1-10(2)12(5)7-6-8-13(9-12)11(3)4;1-10(2)8-12-6-5-7-13(9-12)11(3)4;1-10(2)12-7-5-6-8-13(9-12)11(3)4;1-10(2)9-12-7-5-6-8-13(12)11(3)4;1-9(2)7-11-5-6-12(8-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)8-11-6-5-7-12(11)10(3)4;1-7(2)9-5-12(8(3)4)6-10(9)11;1-8(2)5-10-6-11(7-10)9(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)7-10-5-6-11(10)9(3)4/h10-12H,5-9H2,1-4H3;10-11H,6-9H2,1-5H3;3*10-12H,5-9H2,1-4H3;3*9-11H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3;3*8-10H,5-7H2,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-fluoro-1,4-di(propan-2-yl)pyrrolidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine?
1,3-di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-fluoro-1,4-di(propan-2-yl)pyrrolidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine has a molecular weight of 2075.77 g/mol, XLogP of 34.20, 31 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-fluoro-1,4-di(propan-2-yl)pyrrolidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 163681645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).