3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]-5-methylpyridin-2-amine

C18H31N3 — CID 64766235

IUPAC3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]-5-methylpyridin-2-amine
SMILESCCNC1CC(C)CCC1C(C)(C)c1cc(C)cnc1N
InChIInChI=1S/C18H31N3/c1-6-20-16-10-12(2)7-8-14(16)18(4,5)15-9-13(3)11-21-17(15)19/h9,11-12,14,16,20H,6-8,10H2,1-5H3,(H2,19,21)
InChIKeyQTSXCDAFOABCSO-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.66
Rot. Bonds4

About 3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]-5-methylpyridin-2-amine

3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]-5-methylpyridin-2-amine (PubChem CID 64766235) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]-5-methylpyridin-2-amine
PubChem CID64766235
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]-5-methylpyridin-2-amine
SMILESCCNC1CC(C)CCC1C(C)(C)c1cc(C)cnc1N
InChIInChI=1S/C18H31N3/c1-6-20-16-10-12(2)7-8-14(16)18(4,5)15-9-13(3)11-21-17(15)19/h9,11-12,14,16,20H,6-8,10H2,1-5H3,(H2,19,21)
InChIKeyQTSXCDAFOABCSO-UHFFFAOYSA-N
XLogP3.66
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-[2-[4-methyl-2-(methylamino)cyclohexyl]propan-2-yl]pyridin-2-amine
CID 64763897
3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]pyridin-2-amine
CID 64767305
N-ethyl-5-methyl-2-[2-(4-methylphenyl)propan-2-yl]cyclohexan-1-amine
CID 64767391
5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine
CID 66272759
5-methyl-2-[2-(3-methylphenyl)propan-2-yl]-N-propylcyclohexan-1-amine
CID 64766425
N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine
CID 103015974
N-ethyl-5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine
CID 64767394
3-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]pyridin-2-amine
CID 64766889
2-[2-(3-fluoro-5-methylphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
CID 79705337
4-tert-butyl-3-(ethylamino)cyclohexan-1-ol
CID 165490862
5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine
CID 65102404
N-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine
CID 64766683

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]-5-methylpyridin-2-amine (CID 64766235) is 3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]-5-methylpyridin-2-amine is CCNC1CC(C)CCC1C(C)(C)c1cc(C)cnc1N.
What is the InChIKey of 3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]-5-methylpyridin-2-amine?
The InChIKey is QTSXCDAFOABCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-6-20-16-10-12(2)7-8-14(16)18(4,5)15-9-13(3)11-21-17(15)19/h9,11-12,14,16,20H,6-8,10H2,1-5H3,(H2,19,21).
What are the key properties of 3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]-5-methylpyridin-2-amine?
3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]-5-methylpyridin-2-amine has a molecular weight of 289.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]-5-methylpyridin-2-amine is sourced from PubChem (CID 64766235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).