1-(1-butylazepan-2-yl)propan-2-ol

C13H27NO — CID 114338690

IUPAC1-(1-butylazepan-2-yl)propan-2-ol
SMILESCCCCN1CCCCCC1CC(C)O
InChIInChI=1S/C13H27NO/c1-3-4-9-14-10-7-5-6-8-13(14)11-12(2)15/h12-13,15H,3-11H2,1-2H3
InChIKeyFBGFOFDGKZMRAU-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.80
Rot. Bonds5

About 1-(1-butylazepan-2-yl)propan-2-ol

1-(1-butylazepan-2-yl)propan-2-ol (PubChem CID 114338690) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(1-butylazepan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-butylazepan-2-yl)propan-2-ol
PubChem CID114338690
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(1-butylazepan-2-yl)propan-2-ol
SMILESCCCCN1CCCCCC1CC(C)O
InChIInChI=1S/C13H27NO/c1-3-4-9-14-10-7-5-6-8-13(14)11-12(2)15/h12-13,15H,3-11H2,1-2H3
InChIKeyFBGFOFDGKZMRAU-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-butylazepan-2-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylazepan-2-yl)propan-2-ol?
The IUPAC name of 1-(1-butylazepan-2-yl)propan-2-ol (CID 114338690) is 1-(1-butylazepan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-butylazepan-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-butylazepan-2-yl)propan-2-ol is CCCCN1CCCCCC1CC(C)O.
What is the InChIKey of 1-(1-butylazepan-2-yl)propan-2-ol?
The InChIKey is FBGFOFDGKZMRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-4-9-14-10-7-5-6-8-13(14)11-12(2)15/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-(1-butylazepan-2-yl)propan-2-ol?
1-(1-butylazepan-2-yl)propan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylazepan-2-yl)propan-2-ol is sourced from PubChem (CID 114338690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).