N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine

C15H31N — CID 83167921

IUPACN-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(CCCC(C)C)CCCC1
InChIInChI=1S/C15H31N/c1-4-12-16-13-15(9-5-6-10-15)11-7-8-14(2)3/h14,16H,4-13H2,1-3H3
InChIKeyZJCNCAGFVXUYON-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds8

About N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine

N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine (PubChem CID 83167921) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine
PubChem CID83167921
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(CCCC(C)C)CCCC1
InChIInChI=1S/C15H31N/c1-4-12-16-13-15(9-5-6-10-15)11-7-8-14(2)3/h14,16H,4-13H2,1-3H3
InChIKeyZJCNCAGFVXUYON-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.37
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

N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine
CID 63509381
N-methyl-1-[1-(4-methylpentyl)cyclobutyl]methanamine
CID 83168798
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687
N-[[1-(4-methylpentyl)cyclopropyl]methyl]ethanamine
CID 83169408
N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine
CID 62260720
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-4-methylpentan-1-amine
CID 114757500
N-[[1-(2-methylpentyl)cyclobutyl]methyl]propan-1-amine
CID 65194997
N-[(1-hexylcyclopropyl)methyl]propan-1-amine
CID 66026661
[1-(4-methylpentyl)cyclopentyl]methanamine
CID 83169041
N-[(1-nonylcyclopropyl)methyl]propan-1-amine
CID 66025330
N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine
CID 167274692
N-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine
CID 107815647

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine (CID 83167921) is N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine is CCCNCC1(CCCC(C)C)CCCC1.
What is the InChIKey of N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is ZJCNCAGFVXUYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-12-16-13-15(9-5-6-10-15)11-7-8-14(2)3/h14,16H,4-13H2,1-3H3.
What are the key properties of N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine?
N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 83167921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).