1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine

C16H33N — CID 114193190

IUPAC1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine
SMILESCCCNC(CCC1CCCC1)C(C)C(C)C
InChIInChI=1S/C16H33N/c1-5-12-17-16(14(4)13(2)3)11-10-15-8-6-7-9-15/h13-17H,5-12H2,1-4H3
InChIKeyNTWKXESZNDAISC-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.62
Rot. Bonds8

About 1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine

1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine (PubChem CID 114193190) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine
PubChem CID114193190
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine
SMILESCCCNC(CCC1CCCC1)C(C)C(C)C
InChIInChI=1S/C16H33N/c1-5-12-17-16(14(4)13(2)3)11-10-15-8-6-7-9-15/h13-17H,5-12H2,1-4H3
InChIKeyNTWKXESZNDAISC-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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

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Related Compounds

1-cyclohexyl-4-methyl-N-propylpentan-3-amine
CID 63399865
7-cyclopentyl-2-methyl-N-propylheptan-3-amine
CID 114192944
5-cyclopentyl-N-propylpentan-2-amine
CID 64504022
4-cyclopropyl-N-propylbutan-2-amine
CID 64504498
1-cyclopentyl-N-propyl-4-pyridin-4-ylpentan-3-amine
CID 66447178
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880
1-cyclohexyl-N-propylhexan-3-amine
CID 63400154
1-cyclohexyl-N-propyl-4-pyridin-4-ylpentan-3-amine
CID 66447175
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
1-cyclopentyl-N-ethyl-4-methylheptan-3-amine
CID 107893474
1-cyclopentyl-6,6,6-trifluoro-N-propylhexan-3-amine
CID 104992726
N-(2-cyclopentylethyl)-3-methylbutan-2-amine
CID 60920356

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine?
The IUPAC name of 1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine (CID 114193190) is 1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine.
What is the SMILES notation for 1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine?
The canonical SMILES for 1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine is CCCNC(CCC1CCCC1)C(C)C(C)C.
What is the InChIKey of 1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine?
The InChIKey is NTWKXESZNDAISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-5-12-17-16(14(4)13(2)3)11-10-15-8-6-7-9-15/h13-17H,5-12H2,1-4H3.
What are the key properties of 1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine?
1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine has a molecular weight of 239.45 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine is sourced from PubChem (CID 114193190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).