CID 123195994

C4H10BN — CID 123195994

IUPAC—
SMILES[B]CCCNC
InChIInChI=1S/C4H10BN/c1-6-4-2-3-5/h6H,2-4H2,1H3
InChIKeyRSIICECBYRSITD-UHFFFAOYSA-N
MW82.94 g/mol
LogP0.18
Rot. Bonds3

About CID 123195994

CID 123195994 (PubChem CID 123195994) has the molecular formula C4H10BN and a molecular weight of 82.94 g/mol.

Molecular Properties

Compound NameCID 123195994
PubChem CID123195994
Molecular FormulaC4H10BN
Molecular Weight82.94 g/mol
Exact Mass83.09
IUPAC Name—
SMILES[B]CCCNC
InChIInChI=1S/C4H10BN/c1-6-4-2-3-5/h6H,2-4H2,1H3
InChIKeyRSIICECBYRSITD-UHFFFAOYSA-N
XLogP0.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.94
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 123195994 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

N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
N-methylbutan-1-amine
CID 8068
N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
CID 176578398
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
N,N'-dimethylethane-1,2-diamine;ethane
CID 90689080
N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
3-iodo-N-methylpropan-1-amine;hydrochloride
CID 86252305
N-methyltriacontan-1-amine
CID 19840895
ethane;N-methylbutan-1-amine;propane
CID 142092371
4-iodo-N-methylbutan-1-amine
CID 88529413
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245

Frequently Asked Questions

What is the IUPAC name of CID 123195994?
The IUPAC name of CID 123195994 (CID 123195994) is not available.
What is the SMILES notation for CID 123195994?
The canonical SMILES for CID 123195994 is [B]CCCNC.
What is the InChIKey of CID 123195994?
The InChIKey is RSIICECBYRSITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BN/c1-6-4-2-3-5/h6H,2-4H2,1H3.
What are the key properties of CID 123195994?
CID 123195994 has a molecular weight of 82.94 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123195994 is sourced from PubChem (CID 123195994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).