1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol

C18H37NO2 — CID 60632322

IUPAC1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol
SMILESCCCCCCCCOCC(O)CNC1CCCCC1C
InChIInChI=1S/C18H37NO2/c1-3-4-5-6-7-10-13-21-15-17(20)14-19-18-12-9-8-11-16(18)2/h16-20H,3-15H2,1-2H3
InChIKeyJNVHDWFHPLZWDR-UHFFFAOYSA-N
MW299.50 g/mol
LogP3.89
Rot. Bonds12

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

1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol (PubChem CID 60632322) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol
PubChem CID60632322
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol
SMILESCCCCCCCCOCC(O)CNC1CCCCC1C
InChIInChI=1S/C18H37NO2/c1-3-4-5-6-7-10-13-21-15-17(20)14-19-18-12-9-8-11-16(18)2/h16-20H,3-15H2,1-2H3
InChIKeyJNVHDWFHPLZWDR-UHFFFAOYSA-N
XLogP3.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 63933567
1-(cyclooctylamino)-3-hexoxypropan-2-ol
CID 60635229
1-(cyclobutylamino)-3-hexoxypropan-2-ol
CID 62415937
1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol
CID 63994700
1-cyclohexyloxy-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63278409
1-octoxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol
CID 80716044
1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79357968
1-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270
1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol
CID 81395639
1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
CID 60633253
1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909698
1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol
CID 60909696

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol?
The IUPAC name of 1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol (CID 60632322) is 1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol.
What is the SMILES notation for 1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol?
The canonical SMILES for 1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol is CCCCCCCCOCC(O)CNC1CCCCC1C.
What is the InChIKey of 1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol?
The InChIKey is JNVHDWFHPLZWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-3-4-5-6-7-10-13-21-15-17(20)14-19-18-12-9-8-11-16(18)2/h16-20H,3-15H2,1-2H3.
What are the key properties of 1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol?
1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol has a molecular weight of 299.50 g/mol, XLogP of 3.89, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol is sourced from PubChem (CID 60632322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).