CID 140686743

C14H31BN — CID 140686743

IUPAC—
SMILESCCCCN([B]C(C)(C)C(C)C)CCCC
InChIInChI=1S/C14H31BN/c1-7-9-11-16(12-10-8-2)15-14(5,6)13(3)4/h13H,7-12H2,1-6H3
InChIKeyLHBFGAHJBIUVLW-UHFFFAOYSA-N
MW224.22 g/mol
LogP4.36
Rot. Bonds9

About CID 140686743

CID 140686743 (PubChem CID 140686743) has the molecular formula C14H31BN and a molecular weight of 224.22 g/mol.

Molecular Properties

Compound NameCID 140686743
PubChem CID140686743
Molecular FormulaC14H31BN
Molecular Weight224.22 g/mol
Exact Mass224.25
IUPAC Name—
SMILESCCCCN([B]C(C)(C)C(C)C)CCCC
InChIInChI=1S/C14H31BN/c1-7-9-11-16(12-10-8-2)15-14(5,6)13(3)4/h13H,7-12H2,1-6H3
InChIKeyLHBFGAHJBIUVLW-UHFFFAOYSA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N-methylbutan-1-amine;2-methylpropane
CID 158127405
2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate
CID 144974044
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine
CID 60710048
N,N-dibutylbutan-1-amine;2-hydroxypropyl 2,2-dimethylpropanoate
CID 87633887
N,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane
CID 144528307
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
hexane;2,3,4-trimethylpentan-3-amine
CID 174790441
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
1,1-dibutyl-2-propan-2-ylhydrazine
CID 21407863
4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60948274

Frequently Asked Questions

What is the IUPAC name of CID 140686743?
The IUPAC name of CID 140686743 (CID 140686743) is not available.
What is the SMILES notation for CID 140686743?
The canonical SMILES for CID 140686743 is CCCCN([B]C(C)(C)C(C)C)CCCC.
What is the InChIKey of CID 140686743?
The InChIKey is LHBFGAHJBIUVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31BN/c1-7-9-11-16(12-10-8-2)15-14(5,6)13(3)4/h13H,7-12H2,1-6H3.
What are the key properties of CID 140686743?
CID 140686743 has a molecular weight of 224.22 g/mol, XLogP of 4.36, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140686743 is sourced from PubChem (CID 140686743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).