borane;N,N-dimethylhexan-1-amine

C8H22BN — CID 134905026

IUPACborane;N,N-dimethylhexan-1-amine
SMILESB.CCCCCCN(C)C
InChIInChI=1S/C8H19N.BH3/c1-4-5-6-7-8-9(2)3;/h4-8H2,1-3H3;1H3
InChIKeyIJQKOGMGXOEFFI-UHFFFAOYSA-N
MW143.08 g/mol
LogP0.94
Rot. Bonds5

About borane;N,N-dimethylhexan-1-amine

borane;N,N-dimethylhexan-1-amine (PubChem CID 134905026) has the molecular formula C8H22BN and a molecular weight of 143.08 g/mol. Its IUPAC name is borane;N,N-dimethylhexan-1-amine.

Molecular Properties

Compound Nameborane;N,N-dimethylhexan-1-amine
PubChem CID134905026
Molecular FormulaC8H22BN
Molecular Weight143.08 g/mol
Exact Mass143.18
IUPAC Nameborane;N,N-dimethylhexan-1-amine
SMILESB.CCCCCCN(C)C
InChIInChI=1S/C8H19N.BH3/c1-4-5-6-7-8-9(2)3;/h4-8H2,1-3H3;1H3
InChIKeyIJQKOGMGXOEFFI-UHFFFAOYSA-N
XLogP0.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.08
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203
N,N-dimethyltetracosan-1-amine;hydrochloride
CID 173002341
azane;N,N-dimethyltetradecan-1-amine
CID 175798772
N,N-dimethyldodecan-1-amine;phosphane
CID 157284001
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847
N,N-dimethyldodecan-1-amine;hypobromous acid
CID 175692920
N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine
CID 23134819

Frequently Asked Questions

What is the IUPAC name of borane;N,N-dimethylhexan-1-amine?
The IUPAC name of borane;N,N-dimethylhexan-1-amine (CID 134905026) is borane;N,N-dimethylhexan-1-amine.
What is the SMILES notation for borane;N,N-dimethylhexan-1-amine?
The canonical SMILES for borane;N,N-dimethylhexan-1-amine is B.CCCCCCN(C)C.
What is the InChIKey of borane;N,N-dimethylhexan-1-amine?
The InChIKey is IJQKOGMGXOEFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.BH3/c1-4-5-6-7-8-9(2)3;/h4-8H2,1-3H3;1H3.
What are the key properties of borane;N,N-dimethylhexan-1-amine?
borane;N,N-dimethylhexan-1-amine has a molecular weight of 143.08 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for borane;N,N-dimethylhexan-1-amine is sourced from PubChem (CID 134905026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).