1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol

C17H28N2O2 — CID 81392661

IUPAC1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
SMILESCC1CCC(OCC(O)CN[C@@H](C)c2ccccn2)CC1
InChIInChI=1S/C17H28N2O2/c1-13-6-8-16(9-7-13)21-12-15(20)11-19-14(2)17-5-3-4-10-18-17/h3-5,10,13-16,19-20H,6-9,11-12H2,1-2H3/t13?,14-,15?,16?/m0/s1
InChIKeyLSMCNWDQFSFBGL-KXVRIMHRSA-N
MW292.42 g/mol
LogP2.69
Rot. Bonds7

About 1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol

1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol (PubChem CID 81392661) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
PubChem CID81392661
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
SMILESCC1CCC(OCC(O)CN[C@@H](C)c2ccccn2)CC1
InChIInChI=1S/C17H28N2O2/c1-13-6-8-16(9-7-13)21-12-15(20)11-19-14(2)17-5-3-4-10-18-17/h3-5,10,13-16,19-20H,6-9,11-12H2,1-2H3/t13?,14-,15?,16?/m0/s1
InChIKeyLSMCNWDQFSFBGL-KXVRIMHRSA-N
XLogP2.69
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81393883
1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81402245
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81407338
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
CID 81401299
1-cyclopropyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 63294348
1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81391897
1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81401996
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
1-cyclopentyloxy-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 55251514
1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392297
1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62332086
1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633001

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol?
The IUPAC name of 1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol (CID 81392661) is 1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol?
The canonical SMILES for 1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol is CC1CCC(OCC(O)CN[C@@H](C)c2ccccn2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol?
The InChIKey is LSMCNWDQFSFBGL-KXVRIMHRSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-6-8-16(9-7-13)21-12-15(20)11-19-14(2)17-5-3-4-10-18-17/h3-5,10,13-16,19-20H,6-9,11-12H2,1-2H3/t13?,14-,15?,16?/m0/s1.
What are the key properties of 1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol?
1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 81392661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).