N-cyclopentylazepan-3-amine

C11H22N2 — CID 82934004

IUPACN-cyclopentylazepan-3-amine
SMILESC1CCC(NC2CCCC2)CNC1
InChIInChI=1S/C11H22N2/c1-2-6-10(5-1)13-11-7-3-4-8-12-9-11/h10-13H,1-9H2
InChIKeyPKIJBYXRDNDSJQ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.66
Rot. Bonds2

About N-cyclopentylazepan-3-amine

N-cyclopentylazepan-3-amine (PubChem CID 82934004) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-cyclopentylazepan-3-amine.

Molecular Properties

Compound NameN-cyclopentylazepan-3-amine
PubChem CID82934004
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-cyclopentylazepan-3-amine
SMILESC1CCC(NC2CCCC2)CNC1
InChIInChI=1S/C11H22N2/c1-2-6-10(5-1)13-11-7-3-4-8-12-9-11/h10-13H,1-9H2
InChIKeyPKIJBYXRDNDSJQ-UHFFFAOYSA-N
XLogP1.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptylazepan-3-amine
CID 82934093
3-(sulfamoylamino)azepane
CID 114959363
N-(1-ethylpyrrolidin-3-yl)piperidin-3-amine
CID 130948313
N-cyclopropylcyclododecanamine
CID 16776852
N-cyclohexylcyclohexanamine;2-methylmorpholine
CID 174732220
N-(2,2-dimethylcyclopentyl)piperidin-3-amine
CID 79860987
tert-butyl 4-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241648
N-cyclohexylcyclohexanamine;ethane
CID 67925930
N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 79731027
N-(trifluoromethyl)piperidin-3-amine;hydrochloride
CID 145336468
N-ethylpiperidin-3-amine
CID 21278340
N-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide
CID 82842865

Frequently Asked Questions

What is the IUPAC name of N-cyclopentylazepan-3-amine?
The IUPAC name of N-cyclopentylazepan-3-amine (CID 82934004) is N-cyclopentylazepan-3-amine.
What is the SMILES notation for N-cyclopentylazepan-3-amine?
The canonical SMILES for N-cyclopentylazepan-3-amine is C1CCC(NC2CCCC2)CNC1.
What is the InChIKey of N-cyclopentylazepan-3-amine?
The InChIKey is PKIJBYXRDNDSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-6-10(5-1)13-11-7-3-4-8-12-9-11/h10-13H,1-9H2.
What are the key properties of N-cyclopentylazepan-3-amine?
N-cyclopentylazepan-3-amine has a molecular weight of 182.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentylazepan-3-amine is sourced from PubChem (CID 82934004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).