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

C14H27NO3 — CID 107271893

IUPAC1-butoxy-3-[(2-cyclopropyloxolan-3-yl)amino]propan-2-ol
SMILESCCCCOCC(O)CNC1CCOC1C1CC1
InChIInChI=1S/C14H27NO3/c1-2-3-7-17-10-12(16)9-15-13-6-8-18-14(13)11-4-5-11/h11-16H,2-10H2,1H3
InChIKeyAKSAWACZYACFIE-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.32
Rot. Bonds9

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

1-butoxy-3-[(2-cyclopropyloxolan-3-yl)amino]propan-2-ol (PubChem CID 107271893) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-butoxy-3-[(2-cyclopropyloxolan-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[(2-cyclopropyloxolan-3-yl)amino]propan-2-ol
PubChem CID107271893
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name1-butoxy-3-[(2-cyclopropyloxolan-3-yl)amino]propan-2-ol
SMILESCCCCOCC(O)CNC1CCOC1C1CC1
InChIInChI=1S/C14H27NO3/c1-2-3-7-17-10-12(16)9-15-13-6-8-18-14(13)11-4-5-11/h11-16H,2-10H2,1H3
InChIKeyAKSAWACZYACFIE-UHFFFAOYSA-N
XLogP1.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-cyclopropyloxolan-3-amine
CID 103580713
1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol
CID 63994700
1-octoxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol
CID 80716044
1-cyclopentyl-3-[(2-cyclopropyloxolan-3-yl)amino]propan-2-ol
CID 103580894
1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 107262664
1-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270
2-cyclopropyl-N-(2-ethylbutyl)oxolan-3-amine
CID 103923918
1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
CID 60633253
1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 107263143
1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol
CID 60632322
1-(cyclobutylamino)-3-hexoxypropan-2-ol
CID 62415937
3-[(2-cyclopropyloxolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103580905

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[(2-cyclopropyloxolan-3-yl)amino]propan-2-ol?
The IUPAC name of 1-butoxy-3-[(2-cyclopropyloxolan-3-yl)amino]propan-2-ol (CID 107271893) is 1-butoxy-3-[(2-cyclopropyloxolan-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[(2-cyclopropyloxolan-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[(2-cyclopropyloxolan-3-yl)amino]propan-2-ol is CCCCOCC(O)CNC1CCOC1C1CC1.
What is the InChIKey of 1-butoxy-3-[(2-cyclopropyloxolan-3-yl)amino]propan-2-ol?
The InChIKey is AKSAWACZYACFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-2-3-7-17-10-12(16)9-15-13-6-8-18-14(13)11-4-5-11/h11-16H,2-10H2,1H3.
What are the key properties of 1-butoxy-3-[(2-cyclopropyloxolan-3-yl)amino]propan-2-ol?
1-butoxy-3-[(2-cyclopropyloxolan-3-yl)amino]propan-2-ol has a molecular weight of 257.37 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[(2-cyclopropyloxolan-3-yl)amino]propan-2-ol is sourced from PubChem (CID 107271893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).