1-butylazaborinane

C8H18BN — CID 140881588

IUPAC1-butylazaborinane
SMILESCCCCN1BCCCC1
InChIInChI=1S/C8H18BN/c1-2-3-7-10-8-5-4-6-9-10/h9H,2-8H2,1H3
InChIKeyAKHSWZKSFNTTGI-UHFFFAOYSA-N
MW139.05 g/mol
LogP1.65
Rot. Bonds3

About 1-butylazaborinane

1-butylazaborinane (PubChem CID 140881588) has the molecular formula C8H18BN and a molecular weight of 139.05 g/mol. Its IUPAC name is 1-butylazaborinane.

Molecular Properties

Compound Name1-butylazaborinane
PubChem CID140881588
Molecular FormulaC8H18BN
Molecular Weight139.05 g/mol
Exact Mass139.15
IUPAC Name1-butylazaborinane
SMILESCCCCN1BCCCC1
InChIInChI=1S/C8H18BN/c1-2-3-7-10-8-5-4-6-9-10/h9H,2-8H2,1H3
InChIKeyAKHSWZKSFNTTGI-UHFFFAOYSA-N
XLogP1.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.05
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-butylazaborinane with MolForge

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

Launch Full Analysis

Related Compounds

1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
1-butylazetidine;ethane
CID 143628082
1-butylpyrrolidine;1,4-dioxane
CID 159502773
1-butyl-3-methyl-1,3-diazetidine
CID 54539532
1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
butane;1-methylpyrrolidine
CID 143371006
1-butyl-2-ethoxy-2-propoxypiperidine
CID 69498111
1-tetradecylpiperidine;hydrochloride
CID 71325293
CID 162323144
CID 162323144
1-bromopentane;1-methylpyrrolidine
CID 175404459

Frequently Asked Questions

What is the IUPAC name of 1-butylazaborinane?
The IUPAC name of 1-butylazaborinane (CID 140881588) is 1-butylazaborinane.
What is the SMILES notation for 1-butylazaborinane?
The canonical SMILES for 1-butylazaborinane is CCCCN1BCCCC1.
What is the InChIKey of 1-butylazaborinane?
The InChIKey is AKHSWZKSFNTTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BN/c1-2-3-7-10-8-5-4-6-9-10/h9H,2-8H2,1H3.
What are the key properties of 1-butylazaborinane?
1-butylazaborinane has a molecular weight of 139.05 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylazaborinane is sourced from PubChem (CID 140881588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).