1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol

C16H31NO2 — CID 114545713

IUPAC1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
SMILESCC1CCC(OCC(O)CNC2CCC(C)C2)CC1
InChIInChI=1S/C16H31NO2/c1-12-4-7-16(8-5-12)19-11-15(18)10-17-14-6-3-13(2)9-14/h12-18H,3-11H2,1-2H3
InChIKeyHMURCQGIOQAYIJ-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.72
Rot. Bonds6

About 1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol

1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol (PubChem CID 114545713) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
PubChem CID114545713
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
SMILESCC1CCC(OCC(O)CNC2CCC(C)C2)CC1
InChIInChI=1S/C16H31NO2/c1-12-4-7-16(8-5-12)19-11-15(18)10-17-14-6-3-13(2)9-14/h12-18H,3-11H2,1-2H3
InChIKeyHMURCQGIOQAYIJ-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
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-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 114545806
1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 107263143
1-ethoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 63931912
1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62088574
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
CID 107152434
1-(dimethylamino)-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 115671208
1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111466677
1-[(1,1-dioxothiolan-3-yl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60633977
1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol?
The IUPAC name of 1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol (CID 114545713) is 1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol is CC1CCC(OCC(O)CNC2CCC(C)C2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol?
The InChIKey is HMURCQGIOQAYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-12-4-7-16(8-5-12)19-11-15(18)10-17-14-6-3-13(2)9-14/h12-18H,3-11H2,1-2H3.
What are the key properties of 1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol?
1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol has a molecular weight of 269.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol is sourced from PubChem (CID 114545713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).