3-butyl-1-(2-methylpropyl)cyclopentan-1-amine

C13H27N — CID 90886547

IUPAC3-butyl-1-(2-methylpropyl)cyclopentan-1-amine
SMILESCCCCC1CCC(N)(CC(C)C)C1
InChIInChI=1S/C13H27N/c1-4-5-6-12-7-8-13(14,10-12)9-11(2)3/h11-12H,4-10,14H2,1-3H3
InChIKeyCYSXTYNFIKCLGF-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.72
Rot. Bonds5

About 3-butyl-1-(2-methylpropyl)cyclopentan-1-amine

3-butyl-1-(2-methylpropyl)cyclopentan-1-amine (PubChem CID 90886547) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-butyl-1-(2-methylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-butyl-1-(2-methylpropyl)cyclopentan-1-amine
PubChem CID90886547
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-butyl-1-(2-methylpropyl)cyclopentan-1-amine
SMILESCCCCC1CCC(N)(CC(C)C)C1
InChIInChI=1S/C13H27N/c1-4-5-6-12-7-8-13(14,10-12)9-11(2)3/h11-12H,4-10,14H2,1-3H3
InChIKeyCYSXTYNFIKCLGF-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

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Related Compounds

4-butyl-1-hexylcyclohexan-1-amine
CID 65020342
N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 63523282
1-(2,4-dimethylpentyl)-4-propylcyclohexan-1-amine
CID 114200635
1-(3-butyl-1-methylcyclohexyl)ethanamine
CID 167255751
1-(2-methylbutyl)-4-propylcyclohexan-1-amine
CID 63407800
1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine
CID 65020237
3-hexadecyl-1-sulfanylcyclopentan-1-ol
CID 151093273
(3-butyl-1-fluorocyclopentyl)boronic acid
CID 142761201
4-(aminomethyl)-1-pentylcyclohexan-1-amine
CID 69228724
4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65170355
4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
CID 65020065
4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65318007

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(2-methylpropyl)cyclopentan-1-amine?
The IUPAC name of 3-butyl-1-(2-methylpropyl)cyclopentan-1-amine (CID 90886547) is 3-butyl-1-(2-methylpropyl)cyclopentan-1-amine.
What is the SMILES notation for 3-butyl-1-(2-methylpropyl)cyclopentan-1-amine?
The canonical SMILES for 3-butyl-1-(2-methylpropyl)cyclopentan-1-amine is CCCCC1CCC(N)(CC(C)C)C1.
What is the InChIKey of 3-butyl-1-(2-methylpropyl)cyclopentan-1-amine?
The InChIKey is CYSXTYNFIKCLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-5-6-12-7-8-13(14,10-12)9-11(2)3/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 3-butyl-1-(2-methylpropyl)cyclopentan-1-amine?
3-butyl-1-(2-methylpropyl)cyclopentan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(2-methylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 90886547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).