N-(2,2-dimethylcyclopentyl)-4-propylcycloheptan-1-amine

C17H33N — CID 79862133

IUPACN-(2,2-dimethylcyclopentyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NC2CCCC2(C)C)CC1
InChIInChI=1S/C17H33N/c1-4-7-14-8-5-9-15(12-11-14)18-16-10-6-13-17(16,2)3/h14-16,18H,4-13H2,1-3H3
InChIKeyGQMIIGVPOVYASZ-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.90
Rot. Bonds4

About N-(2,2-dimethylcyclopentyl)-4-propylcycloheptan-1-amine

N-(2,2-dimethylcyclopentyl)-4-propylcycloheptan-1-amine (PubChem CID 79862133) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-4-propylcycloheptan-1-amine
PubChem CID79862133
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-(2,2-dimethylcyclopentyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NC2CCCC2(C)C)CC1
InChIInChI=1S/C17H33N/c1-4-7-14-8-5-9-15(12-11-14)18-16-10-6-13-17(16,2)3/h14-16,18H,4-13H2,1-3H3
InChIKeyGQMIIGVPOVYASZ-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
N-(2,2-dimethylcyclopropyl)-4-propylcyclohexan-1-amine
CID 61223206
N-cyclopropyl-2,2-dimethylcyclohexan-1-amine
CID 79828410
2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclohexan-1-amine
CID 79829280
N-(2,2-dimethylcyclopentyl)-4,4-dimethylcyclohexan-1-amine
CID 79856410
4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine
CID 65091606
N-(2,2-dimethylpropyl)-4-propylcycloheptan-1-amine
CID 65091749
2,2-dimethyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine
CID 79861175
N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine
CID 79864492
1-butyl-N-(4-propylcycloheptyl)piperidin-4-amine
CID 65091542
3-[(2,2-dimethylcyclopentyl)amino]cyclobutan-1-ol
CID 79856418
N-(2,2-dimethylcyclopentyl)piperidin-3-amine
CID 79860987

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-4-propylcycloheptan-1-amine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-4-propylcycloheptan-1-amine (CID 79862133) is N-(2,2-dimethylcyclopentyl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-4-propylcycloheptan-1-amine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-4-propylcycloheptan-1-amine is CCCC1CCCC(NC2CCCC2(C)C)CC1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-4-propylcycloheptan-1-amine?
The InChIKey is GQMIIGVPOVYASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-4-7-14-8-5-9-15(12-11-14)18-16-10-6-13-17(16,2)3/h14-16,18H,4-13H2,1-3H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-4-propylcycloheptan-1-amine?
N-(2,2-dimethylcyclopentyl)-4-propylcycloheptan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 79862133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).