2-cyclopentyl-4-methyl-N-propylheptan-1-amine

C16H33N — CID 112569912

IUPAC2-cyclopentyl-4-methyl-N-propylheptan-1-amine
SMILESCCCNCC(CC(C)CCC)C1CCCC1
InChIInChI=1S/C16H33N/c1-4-8-14(3)12-16(13-17-11-5-2)15-9-6-7-10-15/h14-17H,4-13H2,1-3H3
InChIKeyKBAPKVAYUKQCJU-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.62
Rot. Bonds9

About 2-cyclopentyl-4-methyl-N-propylheptan-1-amine

2-cyclopentyl-4-methyl-N-propylheptan-1-amine (PubChem CID 112569912) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 2-cyclopentyl-4-methyl-N-propylheptan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-4-methyl-N-propylheptan-1-amine
PubChem CID112569912
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name2-cyclopentyl-4-methyl-N-propylheptan-1-amine
SMILESCCCNCC(CC(C)CCC)C1CCCC1
InChIInChI=1S/C16H33N/c1-4-8-14(3)12-16(13-17-11-5-2)15-9-6-7-10-15/h14-17H,4-13H2,1-3H3
InChIKeyKBAPKVAYUKQCJU-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.62
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

2-cyclohexyl-N-propylpentan-1-amine
CID 82932453
2-cyclopropyl-4-methyl-N-propylpentan-1-amine
CID 104819242
2-cyclopentyl-N-propylundecan-1-amine
CID 115926613
2-cyclopentyl-N-propyldecan-1-amine
CID 112569910
2-cyclopentyl-5,5-dimethyl-N-propylhexan-1-amine
CID 112569928
2-cyclopentyl-N-propyl-3-trimethylsilylpropan-1-amine
CID 106323935
2-cyclopentyl-4-methyl-N-propan-2-ylhexan-1-amine
CID 112569973
2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine
CID 115926645
2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 112569967
2-cycloheptyl-4-(propylamino)butan-1-ol
CID 165467756
2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine
CID 112570163
N-(2,2-dicyclopropylethyl)propan-1-amine
CID 19374902

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-methyl-N-propylheptan-1-amine?
The IUPAC name of 2-cyclopentyl-4-methyl-N-propylheptan-1-amine (CID 112569912) is 2-cyclopentyl-4-methyl-N-propylheptan-1-amine.
What is the SMILES notation for 2-cyclopentyl-4-methyl-N-propylheptan-1-amine?
The canonical SMILES for 2-cyclopentyl-4-methyl-N-propylheptan-1-amine is CCCNCC(CC(C)CCC)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-methyl-N-propylheptan-1-amine?
The InChIKey is KBAPKVAYUKQCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-8-14(3)12-16(13-17-11-5-2)15-9-6-7-10-15/h14-17H,4-13H2,1-3H3.
What are the key properties of 2-cyclopentyl-4-methyl-N-propylheptan-1-amine?
2-cyclopentyl-4-methyl-N-propylheptan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-methyl-N-propylheptan-1-amine is sourced from PubChem (CID 112569912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).