1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine

C18H30N2 — CID 105135868

IUPAC1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine
SMILESCCCNC(CCc1cccnc1)CC1CCCCC1
InChIInChI=1S/C18H30N2/c1-2-12-20-18(14-16-7-4-3-5-8-16)11-10-17-9-6-13-19-15-17/h6,9,13,15-16,18,20H,2-5,7-8,10-12,14H2,1H3
InChIKeyZYVCUBQPYUIQMM-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.35
Rot. Bonds8

About 1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine

1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine (PubChem CID 105135868) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine
PubChem CID105135868
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine
SMILESCCCNC(CCc1cccnc1)CC1CCCCC1
InChIInChI=1S/C18H30N2/c1-2-12-20-18(14-16-7-4-3-5-8-16)11-10-17-9-6-13-19-15-17/h6,9,13,15-16,18,20H,2-5,7-8,10-12,14H2,1H3
InChIKeyZYVCUBQPYUIQMM-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 105034440
(1-cyclohexyl-4-pyridin-3-ylbutan-2-yl)hydrazine
CID 105296236
1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105138992
1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
CID 105138737
1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62600838
1-cyclohexyl-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62603236
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-cyclopentyl-4-pyridin-3-ylbutan-2-amine
CID 105139079
1-cyclobutyl-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709042
N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
CID 105179991
1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105176320
1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine
CID 63414368

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine?
The IUPAC name of 1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine (CID 105135868) is 1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine is CCCNC(CCc1cccnc1)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine?
The InChIKey is ZYVCUBQPYUIQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-12-20-18(14-16-7-4-3-5-8-16)11-10-17-9-6-13-19-15-17/h6,9,13,15-16,18,20H,2-5,7-8,10-12,14H2,1H3.
What are the key properties of 1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine?
1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 105135868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).