1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine

C18H30N2 — CID 66446739

IUPAC1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(C)cn1)CC1CCCCC1
InChIInChI=1S/C18H30N2/c1-3-11-19-18(12-16-7-5-4-6-8-16)13-17-10-9-15(2)14-20-17/h9-10,14,16,18-19H,3-8,11-13H2,1-2H3
InChIKeyCGZBQCHAOQPEJM-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.27
Rot. Bonds7

About 1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine

1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine (PubChem CID 66446739) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine
PubChem CID66446739
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(C)cn1)CC1CCCCC1
InChIInChI=1S/C18H30N2/c1-3-11-19-18(12-16-7-5-4-6-8-16)13-17-10-9-15(2)14-20-17/h9-10,14,16,18-19H,3-8,11-13H2,1-2H3
InChIKeyCGZBQCHAOQPEJM-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine
CID 105036172
1-cyclobutyl-N-ethyl-3-(5-methyl-2-pyridinyl)propan-2-amine
CID 103164343
1-cyclohexyl-3-(5-methyl-2-pyridinyl)propan-2-amine
CID 66446718
1-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62797585
1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 114458153
1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 105034440
1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103557055
1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine
CID 105024576
1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103169483
N-[1-(1,1-dioxothian-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 104520163
1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105138992
1-(5-bromo-2-pyridinyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 104803952

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine?
The IUPAC name of 1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine (CID 66446739) is 1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine is CCCNC(Cc1ccc(C)cn1)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine?
The InChIKey is CGZBQCHAOQPEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-11-19-18(12-16-7-5-4-6-8-16)13-17-10-9-15(2)14-20-17/h9-10,14,16,18-19H,3-8,11-13H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine?
1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine is sourced from PubChem (CID 66446739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).