2-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]cyclohexan-1-ol

C16H31NO3 — CID 62358746

IUPAC2-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]cyclohexan-1-ol
SMILESCC1CCC(OCC(O)CNC2CCCCC2O)CC1
InChIInChI=1S/C16H31NO3/c1-12-6-8-14(9-7-12)20-11-13(18)10-17-15-4-2-3-5-16(15)19/h12-19H,2-11H2,1H3
InChIKeyKHFVFUMOBIOLMM-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.84
Rot. Bonds6

About 2-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]cyclohexan-1-ol

2-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]cyclohexan-1-ol (PubChem CID 62358746) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]cyclohexan-1-ol
PubChem CID62358746
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name2-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]cyclohexan-1-ol
SMILESCC1CCC(OCC(O)CNC2CCCCC2O)CC1
InChIInChI=1S/C16H31NO3/c1-12-6-8-14(9-7-12)20-11-13(18)10-17-15-4-2-3-5-16(15)19/h12-19H,2-11H2,1H3
InChIKeyKHFVFUMOBIOLMM-UHFFFAOYSA-N
XLogP1.84
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62088574
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 114545713
1-cyclohexyloxy-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63278409
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
CID 107152434
2-[(4-methylcyclohexyl)methylamino]cyclohexan-1-ol
CID 63243394
1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633936
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62358751
1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367
1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
CID 44782577
1-(2-methoxyethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60632831
1-(4-methylcyclohexyl)oxy-3-(5-methylhexan-2-ylamino)propan-2-ol
CID 60634451

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]cyclohexan-1-ol (CID 62358746) is 2-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]cyclohexan-1-ol is CC1CCC(OCC(O)CNC2CCCCC2O)CC1.
What is the InChIKey of 2-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]cyclohexan-1-ol?
The InChIKey is KHFVFUMOBIOLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-12-6-8-14(9-7-12)20-11-13(18)10-17-15-4-2-3-5-16(15)19/h12-19H,2-11H2,1H3.
What are the key properties of 2-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]cyclohexan-1-ol?
2-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]cyclohexan-1-ol has a molecular weight of 285.43 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 62358746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).