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

C17H28N2O2 — CID 81393883

IUPAC1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
SMILESCC1CCC(OCC(O)CN[C@@H](C)c2ccncc2)CC1
InChIInChI=1S/C17H28N2O2/c1-13-3-5-17(6-4-13)21-12-16(20)11-19-14(2)15-7-9-18-10-8-15/h7-10,13-14,16-17,19-20H,3-6,11-12H2,1-2H3/t13?,14-,16?,17?/m0/s1
InChIKeyYZXOXHSAIFIVOD-ZFBLFJJNSA-N
MW292.42 g/mol
LogP2.69
Rot. Bonds7

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

1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol (PubChem CID 81393883) 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-4-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
PubChem CID81393883
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
SMILESCC1CCC(OCC(O)CN[C@@H](C)c2ccncc2)CC1
InChIInChI=1S/C17H28N2O2/c1-13-3-5-17(6-4-13)21-12-16(20)11-19-14(2)15-7-9-18-10-8-15/h7-10,13-14,16-17,19-20H,3-6,11-12H2,1-2H3/t13?,14-,16?,17?/m0/s1
InChIKeyYZXOXHSAIFIVOD-ZFBLFJJNSA-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-4-ylethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81409866
1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392661
1-cyclopentyloxy-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 55251514
1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81404417
1-(2-butoxyethoxy)-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81395520
(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
CID 75444116
1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469442
1-(4-methylcyclohexyl)oxy-3-(5-methylhexan-2-ylamino)propan-2-ol
CID 60634451
1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 63837233
1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62840331
1-(hexan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62200592
1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 60632771

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol?
The IUPAC name of 1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol (CID 81393883) is 1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol?
The canonical SMILES for 1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol is CC1CCC(OCC(O)CN[C@@H](C)c2ccncc2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol?
The InChIKey is YZXOXHSAIFIVOD-ZFBLFJJNSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-3-5-17(6-4-13)21-12-16(20)11-19-14(2)15-7-9-18-10-8-15/h7-10,13-14,16-17,19-20H,3-6,11-12H2,1-2H3/t13?,14-,16?,17?/m0/s1.
What are the key properties of 1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol?
1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-4-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-4-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 81393883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).