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

C13H27NO2 — CID 107263143

IUPAC1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
SMILESCCCCOCC(O)CNC1CCC(C)C1
InChIInChI=1S/C13H27NO2/c1-3-4-7-16-10-13(15)9-14-12-6-5-11(2)8-12/h11-15H,3-10H2,1-2H3
InChIKeyZXHKLXRSEUAORN-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds8

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

1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol (PubChem CID 107263143) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
PubChem CID107263143
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
SMILESCCCCOCC(O)CNC1CCC(C)C1
InChIInChI=1S/C13H27NO2/c1-3-4-7-16-10-13(15)9-14-12-6-5-11(2)8-12/h11-15H,3-10H2,1-2H3
InChIKeyZXHKLXRSEUAORN-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
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-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 107262664
1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol
CID 63994700
1-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270
1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
CID 60633253
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-(cyclobutylamino)-3-hexoxypropan-2-ol
CID 62415937
1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 114545713
1-(cyclooctylamino)-3-hexoxypropan-2-ol
CID 60635229
1-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 114545806
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909698

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol?
The IUPAC name of 1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol (CID 107263143) is 1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol is CCCCOCC(O)CNC1CCC(C)C1.
What is the InChIKey of 1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol?
The InChIKey is ZXHKLXRSEUAORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-4-7-16-10-13(15)9-14-12-6-5-11(2)8-12/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol?
1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol is sourced from PubChem (CID 107263143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).