1-cyclopentyl-N-propyl-4-pyridin-4-ylpentan-3-amine

C18H30N2 — CID 66447178

IUPAC1-cyclopentyl-N-propyl-4-pyridin-4-ylpentan-3-amine
SMILESCCCNC(CCC1CCCC1)C(C)c1ccncc1
InChIInChI=1S/C18H30N2/c1-3-12-20-18(9-8-16-6-4-5-7-16)15(2)17-10-13-19-14-11-17/h10-11,13-16,18,20H,3-9,12H2,1-2H3
InChIKeyDUDAATWSOBWZAO-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.52
Rot. Bonds8

About 1-cyclopentyl-N-propyl-4-pyridin-4-ylpentan-3-amine

1-cyclopentyl-N-propyl-4-pyridin-4-ylpentan-3-amine (PubChem CID 66447178) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-cyclopentyl-N-propyl-4-pyridin-4-ylpentan-3-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-propyl-4-pyridin-4-ylpentan-3-amine
PubChem CID66447178
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-cyclopentyl-N-propyl-4-pyridin-4-ylpentan-3-amine
SMILESCCCNC(CCC1CCCC1)C(C)c1ccncc1
InChIInChI=1S/C18H30N2/c1-3-12-20-18(9-8-16-6-4-5-7-16)15(2)17-10-13-19-14-11-17/h10-11,13-16,18,20H,3-9,12H2,1-2H3
InChIKeyDUDAATWSOBWZAO-UHFFFAOYSA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-propyl-4-pyridin-4-ylpentan-3-amine
CID 66447175
1-cyclopropyl-N-propyl-3-pyridin-4-ylbutan-2-amine
CID 66447180
1-cyclohexyl-4-methyl-N-propylpentan-3-amine
CID 63399865
2-cyclopropyl-N-propyl-4-pyridin-4-ylpentan-3-amine
CID 83154837
N-ethyl-1-(oxan-2-yl)-4-pyridin-4-ylpentan-3-amine
CID 66447563
1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine
CID 114193190
1-cycloheptyl-N-methyl-3-pyridin-4-ylbutan-2-amine
CID 114458229
N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine
CID 65457651
1-cyclobutyl-N-methyl-3-pyridin-4-ylbutan-2-amine
CID 103164322
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
1-cyclooctyl-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66447758
3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43494684

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-propyl-4-pyridin-4-ylpentan-3-amine?
The IUPAC name of 1-cyclopentyl-N-propyl-4-pyridin-4-ylpentan-3-amine (CID 66447178) is 1-cyclopentyl-N-propyl-4-pyridin-4-ylpentan-3-amine.
What is the SMILES notation for 1-cyclopentyl-N-propyl-4-pyridin-4-ylpentan-3-amine?
The canonical SMILES for 1-cyclopentyl-N-propyl-4-pyridin-4-ylpentan-3-amine is CCCNC(CCC1CCCC1)C(C)c1ccncc1.
What is the InChIKey of 1-cyclopentyl-N-propyl-4-pyridin-4-ylpentan-3-amine?
The InChIKey is DUDAATWSOBWZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-12-20-18(9-8-16-6-4-5-7-16)15(2)17-10-13-19-14-11-17/h10-11,13-16,18,20H,3-9,12H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-propyl-4-pyridin-4-ylpentan-3-amine?
1-cyclopentyl-N-propyl-4-pyridin-4-ylpentan-3-amine has a molecular weight of 274.45 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-propyl-4-pyridin-4-ylpentan-3-amine is sourced from PubChem (CID 66447178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).