N-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine

C14H29N3 — CID 103981902

IUPACN-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine
SMILESCCN1CCC(CNC2CCCNCC2)CC1
InChIInChI=1S/C14H29N3/c1-2-17-10-6-13(7-11-17)12-16-14-4-3-8-15-9-5-14/h13-16H,2-12H2,1H3
InChIKeyCVPRPZQMIDLJBM-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.45
Rot. Bonds4

About N-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine

N-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine (PubChem CID 103981902) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine
PubChem CID103981902
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine
SMILESCCN1CCC(CNC2CCCNCC2)CC1
InChIInChI=1S/C14H29N3/c1-2-17-10-6-13(7-11-17)12-16-14-4-3-8-15-9-5-14/h13-16H,2-12H2,1H3
InChIKeyCVPRPZQMIDLJBM-UHFFFAOYSA-N
XLogP1.45
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-1-ethylpiperidin-4-amine
CID 43298506
N-(cyclopentylmethyl)-1-ethylazepan-4-amine
CID 65074491
N-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 79731365
N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091371
1-ethyl-N-(thian-4-ylmethyl)azepan-4-amine
CID 113487394
N-(piperidin-4-ylmethyl)cyclododecanamine
CID 83958053
N-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine
CID 103982170
1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 86262794
N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64746015
N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561823
N-[(4-methylcyclohexyl)methyl]piperidin-3-amine
CID 63243171
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]methanamine
CID 65457568

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine (CID 103981902) is N-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine is CCN1CCC(CNC2CCCNCC2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine?
The InChIKey is CVPRPZQMIDLJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-2-17-10-6-13(7-11-17)12-16-14-4-3-8-15-9-5-14/h13-16H,2-12H2,1H3.
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine?
N-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine has a molecular weight of 239.41 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine is sourced from PubChem (CID 103981902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).