N-(2,2-dimethylcyclopentyl)-1-propan-2-ylazepan-4-amine

C16H32N2 — CID 79861390

IUPACN-(2,2-dimethylcyclopentyl)-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(NC2CCCC2(C)C)CC1
InChIInChI=1S/C16H32N2/c1-13(2)18-11-6-7-14(9-12-18)17-15-8-5-10-16(15,3)4/h13-15,17H,5-12H2,1-4H3
InChIKeyFYDGSXDXLXKKID-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds3

About N-(2,2-dimethylcyclopentyl)-1-propan-2-ylazepan-4-amine

N-(2,2-dimethylcyclopentyl)-1-propan-2-ylazepan-4-amine (PubChem CID 79861390) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-1-propan-2-ylazepan-4-amine
PubChem CID79861390
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-(2,2-dimethylcyclopentyl)-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(NC2CCCC2(C)C)CC1
InChIInChI=1S/C16H32N2/c1-13(2)18-11-6-7-14(9-12-18)17-15-8-5-10-16(15,3)4/h13-15,17H,5-12H2,1-4H3
InChIKeyFYDGSXDXLXKKID-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 79859942
N-(2,2-dimethylcyclopentyl)-4,4-dimethylcyclohexan-1-amine
CID 79856410
N-cyclopropyl-2,2-dimethylcyclohexan-1-amine
CID 79828410
2,2-dimethyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine
CID 79861175
N-(2,2-dimethylcyclopentyl)piperidin-3-amine
CID 79860987
9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470461
N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
CID 65074446
1-propan-2-yl-N-(thietan-3-yl)piperidin-4-amine
CID 126987499
2,2-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine
CID 107448611
3-[(2,2-dimethylcyclopentyl)amino]cyclobutan-1-ol
CID 79856418
1-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]azepan-4-amine
CID 65073299
N-pentan-3-yl-1-propan-2-ylazepan-4-amine
CID 65072876

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-1-propan-2-ylazepan-4-amine (CID 79861390) is N-(2,2-dimethylcyclopentyl)-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-1-propan-2-ylazepan-4-amine is CC(C)N1CCCC(NC2CCCC2(C)C)CC1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-1-propan-2-ylazepan-4-amine?
The InChIKey is FYDGSXDXLXKKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(2)18-11-6-7-14(9-12-18)17-15-8-5-10-16(15,3)4/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-1-propan-2-ylazepan-4-amine?
N-(2,2-dimethylcyclopentyl)-1-propan-2-ylazepan-4-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 79861390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).