7-cyclopentyl-2-methyl-N-propylheptan-3-amine

C16H33N — CID 114192944

IUPAC7-cyclopentyl-2-methyl-N-propylheptan-3-amine
SMILESCCCNC(CCCCC1CCCC1)C(C)C
InChIInChI=1S/C16H33N/c1-4-13-17-16(14(2)3)12-8-7-11-15-9-5-6-10-15/h14-17H,4-13H2,1-3H3
InChIKeyGMJBGVQAAYUGCC-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.76
Rot. Bonds9

About 7-cyclopentyl-2-methyl-N-propylheptan-3-amine

7-cyclopentyl-2-methyl-N-propylheptan-3-amine (PubChem CID 114192944) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 7-cyclopentyl-2-methyl-N-propylheptan-3-amine.

Molecular Properties

Compound Name7-cyclopentyl-2-methyl-N-propylheptan-3-amine
PubChem CID114192944
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name7-cyclopentyl-2-methyl-N-propylheptan-3-amine
SMILESCCCNC(CCCCC1CCCC1)C(C)C
InChIInChI=1S/C16H33N/c1-4-13-17-16(14(2)3)12-8-7-11-15-9-5-6-10-15/h14-17H,4-13H2,1-3H3
InChIKeyGMJBGVQAAYUGCC-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
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

1-cyclohexyl-4-methyl-N-propylpentan-3-amine
CID 63399865
7-cyclohexyl-N-ethyl-2-methylheptan-3-amine
CID 114192943
1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine
CID 114193190
5-cyclopentyl-N-propylpentan-2-amine
CID 64504022
N-(3-cyclopentylpropyl)heptan-2-amine
CID 106008711
13-methyltetradecylcyclopentane
CID 123698808
2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102901326
1-cyclohexyl-N-propylhexan-3-amine
CID 63400154
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880
6,12-dimethylhexadecylcyclopentane;ethane;methane
CID 145468436
(7-cyclopentyl-3-methylheptyl)cyclopentane
CID 123466678
3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
CID 91804535

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-methyl-N-propylheptan-3-amine?
The IUPAC name of 7-cyclopentyl-2-methyl-N-propylheptan-3-amine (CID 114192944) is 7-cyclopentyl-2-methyl-N-propylheptan-3-amine.
What is the SMILES notation for 7-cyclopentyl-2-methyl-N-propylheptan-3-amine?
The canonical SMILES for 7-cyclopentyl-2-methyl-N-propylheptan-3-amine is CCCNC(CCCCC1CCCC1)C(C)C.
What is the InChIKey of 7-cyclopentyl-2-methyl-N-propylheptan-3-amine?
The InChIKey is GMJBGVQAAYUGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-13-17-16(14(2)3)12-8-7-11-15-9-5-6-10-15/h14-17H,4-13H2,1-3H3.
What are the key properties of 7-cyclopentyl-2-methyl-N-propylheptan-3-amine?
7-cyclopentyl-2-methyl-N-propylheptan-3-amine has a molecular weight of 239.45 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-methyl-N-propylheptan-3-amine is sourced from PubChem (CID 114192944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).