CID 174072137

C5H10BN — CID 174072137

IUPAC—
SMILES[B]C(N)C1CCC1
InChIInChI=1S/C5H10BN/c6-5(7)4-2-1-3-4/h4-5H,1-3,7H2
InChIKeyKFMPYOLPUXODBE-UHFFFAOYSA-N
MW94.95 g/mol
LogP0.24
Rot. Bonds1

About CID 174072137

CID 174072137 (PubChem CID 174072137) has the molecular formula C5H10BN and a molecular weight of 94.95 g/mol.

Molecular Properties

Compound NameCID 174072137
PubChem CID174072137
Molecular FormulaC5H10BN
Molecular Weight94.95 g/mol
Exact Mass95.09
IUPAC Name—
SMILES[B]C(N)C1CCC1
InChIInChI=1S/C5H10BN/c6-5(7)4-2-1-3-4/h4-5H,1-3,7H2
InChIKeyKFMPYOLPUXODBE-UHFFFAOYSA-N
XLogP0.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.95
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclobutylmethanediamine
CID 141249006
1-cyclobutylpropane-1,2-diamine
CID 116932568
(1S)-1-cyclobutylethanamine;hydron;chloride
CID 118957169
cycloheptyl(cyclohexyl)methanamine
CID 65399873
1,2-di(cyclobutyl)ethanamine
CID 65456758
6-bicyclo[3.1.0]hexanyl(cyclobutyl)methanamine
CID 105049389
1-amino-1-cyclobutylpropan-2-ol
CID 55295141
(1R,2S)-1-amino-1-cyclobutylpropan-2-ol
CID 55295105
(1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride
CID 127264190
cyclohexyl(silyl)methanamine
CID 174790563
(2S)-2-amino-N-cyclobutyl-2-cyclohexylacetamide
CID 70337031
bis(3-chlorocyclohexyl)methanamine
CID 141387769

Frequently Asked Questions

What is the IUPAC name of CID 174072137?
The IUPAC name of CID 174072137 (CID 174072137) is not available.
What is the SMILES notation for CID 174072137?
The canonical SMILES for CID 174072137 is [B]C(N)C1CCC1.
What is the InChIKey of CID 174072137?
The InChIKey is KFMPYOLPUXODBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BN/c6-5(7)4-2-1-3-4/h4-5H,1-3,7H2.
What are the key properties of CID 174072137?
CID 174072137 has a molecular weight of 94.95 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174072137 is sourced from PubChem (CID 174072137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).