1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol

C17H33NO2 — CID 60633137

IUPAC1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(NCC(O)COC2CCC(C)CC2)CC1
InChIInChI=1S/C17H33NO2/c1-13-3-7-15(8-4-13)18-11-16(19)12-20-17-9-5-14(2)6-10-17/h13-19H,3-12H2,1-2H3
InChIKeyBZNQBHFZVFBCTJ-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.11
Rot. Bonds6

About 1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol

1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol (PubChem CID 60633137) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
PubChem CID60633137
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(NCC(O)COC2CCC(C)CC2)CC1
InChIInChI=1S/C17H33NO2/c1-13-3-7-15(8-4-13)18-11-16(19)12-20-17-9-5-14(2)6-10-17/h13-19H,3-12H2,1-2H3
InChIKeyBZNQBHFZVFBCTJ-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 114545713
1-ethoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 63931912
1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633936
2-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]cyclohexan-1-ol
CID 62358746
1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367
1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
CID 44782577
1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62088574
1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol
CID 65080146
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
CID 107152434
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
1-(4-methylcyclohexyl)oxy-3-(5-methylhexan-2-ylamino)propan-2-ol
CID 60634451
1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469442

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol (CID 60633137) is 1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol is CC1CCC(NCC(O)COC2CCC(C)CC2)CC1.
What is the InChIKey of 1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is BZNQBHFZVFBCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-13-3-7-15(8-4-13)18-11-16(19)12-20-17-9-5-14(2)6-10-17/h13-19H,3-12H2,1-2H3.
What are the key properties of 1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol?
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 283.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 60633137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).