2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine

C16H32N2 — CID 65281074

IUPAC2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1N1CCCC(C)(C)CC1
InChIInChI=1S/C16H32N2/c1-4-11-17-14-7-5-8-15(14)18-12-6-9-16(2,3)10-13-18/h14-15,17H,4-13H2,1-3H3
InChIKeyPBZRLQBLGAKINV-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds4

About 2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine

2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine (PubChem CID 65281074) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine
PubChem CID65281074
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1N1CCCC(C)(C)CC1
InChIInChI=1S/C16H32N2/c1-4-11-17-14-7-5-8-15(14)18-12-6-9-16(2,3)10-13-18/h14-15,17H,4-13H2,1-3H3
InChIKeyPBZRLQBLGAKINV-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 65281267
2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 103494992
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-propylcyclohexan-1-amine
CID 65320976
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylcyclohexan-1-amine
CID 79938748
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine
CID 79187934
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentan-1-amine
CID 66394027
N-ethyl-2-(4-ethyl-4-methylpiperidin-1-yl)cyclohexan-1-amine
CID 63160766
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine
CID 63469924
2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine
CID 63972305
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcycloheptan-1-amine
CID 79188611
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine
CID 79188224
2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine
CID 62133940

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine (CID 65281074) is 2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine is CCCNC1CCCC1N1CCCC(C)(C)CC1.
What is the InChIKey of 2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine?
The InChIKey is PBZRLQBLGAKINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-11-17-14-7-5-8-15(14)18-12-6-9-16(2,3)10-13-18/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine?
2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 65281074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).