1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol

C15H31NO2 — CID 107262664

IUPAC1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol
SMILESCCCCOCC(O)CNC1CCC(CC)CC1
InChIInChI=1S/C15H31NO2/c1-3-5-10-18-12-15(17)11-16-14-8-6-13(4-2)7-9-14/h13-17H,3-12H2,1-2H3
InChIKeyXHJPXKPZJGDJNL-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.72
Rot. Bonds9

About 1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol

1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol (PubChem CID 107262664) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol
PubChem CID107262664
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol
SMILESCCCCOCC(O)CNC1CCC(CC)CC1
InChIInChI=1S/C15H31NO2/c1-3-5-10-18-12-15(17)11-16-14-8-6-13(4-2)7-9-14/h13-17H,3-12H2,1-2H3
InChIKeyXHJPXKPZJGDJNL-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.72
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-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270
1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 107263143
1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
CID 60633253
1-(cyclobutylamino)-3-hexoxypropan-2-ol
CID 62415937
1-(cyclooctylamino)-3-hexoxypropan-2-ol
CID 60635229
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
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
1-ethoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 63931912
1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
CID 107262875
1-(cyclopropylamino)-3-methoxypropan-2-ol
CID 21034992
1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60970222

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol (CID 107262664) is 1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol is CCCCOCC(O)CNC1CCC(CC)CC1.
What is the InChIKey of 1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol?
The InChIKey is XHJPXKPZJGDJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-5-10-18-12-15(17)11-16-14-8-6-13(4-2)7-9-14/h13-17H,3-12H2,1-2H3.
What are the key properties of 1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol?
1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 107262664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).