1-(2-methylcyclohexyl)oxy-3-(octan-4-ylamino)propan-2-ol

C18H37NO2 — CID 106024955

IUPAC1-(2-methylcyclohexyl)oxy-3-(octan-4-ylamino)propan-2-ol
SMILESCCCCC(CCC)NCC(O)COC1CCCCC1C
InChIInChI=1S/C18H37NO2/c1-4-6-11-16(9-5-2)19-13-17(20)14-21-18-12-8-7-10-15(18)3/h15-20H,4-14H2,1-3H3
InChIKeyZCVMTPNZCVNOSX-UHFFFAOYSA-N
MW299.50 g/mol
LogP3.89
Rot. Bonds11

About 1-(2-methylcyclohexyl)oxy-3-(octan-4-ylamino)propan-2-ol

1-(2-methylcyclohexyl)oxy-3-(octan-4-ylamino)propan-2-ol (PubChem CID 106024955) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)oxy-3-(octan-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)oxy-3-(octan-4-ylamino)propan-2-ol
PubChem CID106024955
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name1-(2-methylcyclohexyl)oxy-3-(octan-4-ylamino)propan-2-ol
SMILESCCCCC(CCC)NCC(O)COC1CCCCC1C
InChIInChI=1S/C18H37NO2/c1-4-6-11-16(9-5-2)19-13-17(20)14-21-18-12-8-7-10-15(18)3/h15-20H,4-14H2,1-3H3
InChIKeyZCVMTPNZCVNOSX-UHFFFAOYSA-N
XLogP3.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol
CID 106024420
1-(2-ethylcyclohexyl)oxy-3-(hexan-3-ylamino)propan-2-ol
CID 62119486
1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 81388573
1-(1-cyclohexylethylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62406813
1-(2-ethylcyclohexyl)oxy-3-(hexan-2-ylamino)propan-2-ol
CID 62200593
1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol
CID 113477406
1-(2-methylcyclohexyl)oxy-3-(2-methylpropylamino)propan-2-ol
CID 60635615
1-(2,2-dimethylhydrazinyl)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 83013847
1-(2-hydroxypropylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60634518
4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol
CID 64910999
1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 63867829
1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol
CID 55049964

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)oxy-3-(octan-4-ylamino)propan-2-ol?
The IUPAC name of 1-(2-methylcyclohexyl)oxy-3-(octan-4-ylamino)propan-2-ol (CID 106024955) is 1-(2-methylcyclohexyl)oxy-3-(octan-4-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methylcyclohexyl)oxy-3-(octan-4-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-methylcyclohexyl)oxy-3-(octan-4-ylamino)propan-2-ol is CCCCC(CCC)NCC(O)COC1CCCCC1C.
What is the InChIKey of 1-(2-methylcyclohexyl)oxy-3-(octan-4-ylamino)propan-2-ol?
The InChIKey is ZCVMTPNZCVNOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-6-11-16(9-5-2)19-13-17(20)14-21-18-12-8-7-10-15(18)3/h15-20H,4-14H2,1-3H3.
What are the key properties of 1-(2-methylcyclohexyl)oxy-3-(octan-4-ylamino)propan-2-ol?
1-(2-methylcyclohexyl)oxy-3-(octan-4-ylamino)propan-2-ol has a molecular weight of 299.50 g/mol, XLogP of 3.89, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)oxy-3-(octan-4-ylamino)propan-2-ol is sourced from PubChem (CID 106024955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).