N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine

C15H30N2 — CID 103561823

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCCN1CCC(CNC2CC(C(C)C)C2)CC1
InChIInChI=1S/C15H30N2/c1-4-17-7-5-13(6-8-17)11-16-15-9-14(10-15)12(2)3/h12-16H,4-11H2,1-3H3
InChIKeyZEFOFQKZYWOWHU-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.74
Rot. Bonds5

About N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine

N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103561823) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
PubChem CID103561823
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCCN1CCC(CNC2CC(C(C)C)C2)CC1
InChIInChI=1S/C15H30N2/c1-4-17-7-5-13(6-8-17)11-16-15-9-14(10-15)12(2)3/h12-16H,4-11H2,1-3H3
InChIKeyZEFOFQKZYWOWHU-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-2-methylpiperidine
CID 7727
3-(Propan-2-yl)piperidine
CID 541786
2,4,6-Trimethylpiperidine
CID 89562
N-(cyclohexylmethyl)-1-ethylpiperidin-4-amine
CID 2846481
1-Methyl-4-(pyrrolidin-3-yl)piperidine
CID 64434666
4-Cyclobutylpiperidine
CID 54555009
2-(1-Methylpiperidin-3-yl)ethan-1-amine
CID 12253960
Dimethyl(2-(piperidin-3-yl)ethyl)amine
CID 21186415
(1-Isopropylpiperidin-4-yl)methanamine
CID 7258859
2-(1,4-Dimethylpiperazin-2-yl)-3-methylpentan-1-amine
CID 3052885
Ethyl(3-(piperidin-4-yl)propyl)amine
CID 62212185
2-Cyclobutylpiperidine
CID 3657540

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine (CID 103561823) is N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine is CCN1CCC(CNC2CC(C(C)C)C2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is ZEFOFQKZYWOWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-17-7-5-13(6-8-17)11-16-15-9-14(10-15)12(2)3/h12-16H,4-11H2,1-3H3.
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine?
N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103561823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).