1-(2-methylcyclopentyl)heptan-1-amine

C13H27N — CID 107188178

IUPAC1-(2-methylcyclopentyl)heptan-1-amine
SMILESCCCCCCC(N)C1CCCC1C
InChIInChI=1S/C13H27N/c1-3-4-5-6-10-13(14)12-9-7-8-11(12)2/h11-13H,3-10,14H2,1-2H3
InChIKeyJITYELYNTHSYRM-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.72
Rot. Bonds6

About 1-(2-methylcyclopentyl)heptan-1-amine

1-(2-methylcyclopentyl)heptan-1-amine (PubChem CID 107188178) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-(2-methylcyclopentyl)heptan-1-amine.

Molecular Properties

Compound Name1-(2-methylcyclopentyl)heptan-1-amine
PubChem CID107188178
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-(2-methylcyclopentyl)heptan-1-amine
SMILESCCCCCCC(N)C1CCCC1C
InChIInChI=1S/C13H27N/c1-3-4-5-6-10-13(14)12-9-7-8-11(12)2/h11-13H,3-10,14H2,1-2H3
InChIKeyJITYELYNTHSYRM-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Isopropylcyclohexylamine
CID 421053
2-Methylcycloheptan-1-amine
CID 14810387
2-Cyclooctyl-1-methyl-ethylamine
CID 44272800
5-Ethylnonan-2-amine
CID 24805
1-(2,2,3-Trimethylcyclopentyl)propan-2-amine--hydrogen chloride (1/1)
CID 216686
3-Cyclohexylbutan-2-amine
CID 65439714
alpha-Methylcyclopentaneethanamine
CID 7743
2-(1-Methylethyl)cyclohexanamine
CID 13115358
3-(Propan-2-yl)cyclohexan-1-amine
CID 19911751
4-Methylcycloheptan-1-amine
CID 20386338
4-sec-Butylcyclohexylamine
CID 22561486
2-(3-Methylbutyl)cyclopentan-1-amine
CID 50986564

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopentyl)heptan-1-amine?
The IUPAC name of 1-(2-methylcyclopentyl)heptan-1-amine (CID 107188178) is 1-(2-methylcyclopentyl)heptan-1-amine.
What is the SMILES notation for 1-(2-methylcyclopentyl)heptan-1-amine?
The canonical SMILES for 1-(2-methylcyclopentyl)heptan-1-amine is CCCCCCC(N)C1CCCC1C.
What is the InChIKey of 1-(2-methylcyclopentyl)heptan-1-amine?
The InChIKey is JITYELYNTHSYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-3-4-5-6-10-13(14)12-9-7-8-11(12)2/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 1-(2-methylcyclopentyl)heptan-1-amine?
1-(2-methylcyclopentyl)heptan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopentyl)heptan-1-amine is sourced from PubChem (CID 107188178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).