N-(cyclopentylmethyl)-1-ethylazepan-4-amine

C14H28N2 — CID 65074491

IUPACN-(cyclopentylmethyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(NCC2CCCC2)CC1
InChIInChI=1S/C14H28N2/c1-2-16-10-5-8-14(9-11-16)15-12-13-6-3-4-7-13/h13-15H,2-12H2,1H3
InChIKeyVQNUMCURAUBNHK-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds4

About N-(cyclopentylmethyl)-1-ethylazepan-4-amine

N-(cyclopentylmethyl)-1-ethylazepan-4-amine (PubChem CID 65074491) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-ethylazepan-4-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-ethylazepan-4-amine
PubChem CID65074491
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(cyclopentylmethyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(NCC2CCCC2)CC1
InChIInChI=1S/C14H28N2/c1-2-16-10-5-8-14(9-11-16)15-12-13-6-3-4-7-13/h13-15H,2-12H2,1H3
InChIKeyVQNUMCURAUBNHK-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-1-ethylpiperidin-4-amine
CID 43298506
1-ethyl-N-(thian-4-ylmethyl)azepan-4-amine
CID 113487394
N-[(1-ethylpiperidin-3-yl)methyl]cyclopentanamine;hydrochloride
CID 115597495
N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091371
1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidin-4-amine
CID 43179038
N-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine
CID 103981902
2-[(1-ethylazepan-4-yl)amino]ethanol
CID 65074439
N-(cyclobutylmethyl)-1-methylazepan-4-amine
CID 65070057
tert-butyl 4-[(1-ethylpiperidin-4-yl)methylamino]azepane-1-carboxylate
CID 113361554
N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine
CID 91201253
N-(2,2-diethoxyethyl)-1-ethylazepan-4-amine
CID 79547698
2-[(1-ethylazepan-4-yl)amino]acetic acid
CID 65074488

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-ethylazepan-4-amine?
The IUPAC name of N-(cyclopentylmethyl)-1-ethylazepan-4-amine (CID 65074491) is N-(cyclopentylmethyl)-1-ethylazepan-4-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-1-ethylazepan-4-amine?
The canonical SMILES for N-(cyclopentylmethyl)-1-ethylazepan-4-amine is CCN1CCCC(NCC2CCCC2)CC1.
What is the InChIKey of N-(cyclopentylmethyl)-1-ethylazepan-4-amine?
The InChIKey is VQNUMCURAUBNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-2-16-10-5-8-14(9-11-16)15-12-13-6-3-4-7-13/h13-15H,2-12H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-1-ethylazepan-4-amine?
N-(cyclopentylmethyl)-1-ethylazepan-4-amine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-ethylazepan-4-amine is sourced from PubChem (CID 65074491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).