CID 140720816

C4H8BN — CID 140720816

IUPAC—
SMILES[B][C@@H]1CC[C@@H]1N
InChIInChI=1S/C4H8BN/c5-3-1-2-4(3)6/h3-4H,1-2,6H2/t3-,4+/m1/s1
InChIKeyLWLIKKVHRGIWEN-DMTCNVIQSA-N
MW80.93 g/mol
LogP0.06
Rot. Bonds

About CID 140720816

CID 140720816 (PubChem CID 140720816) has the molecular formula C4H8BN and a molecular weight of 80.93 g/mol.

Molecular Properties

Compound NameCID 140720816
PubChem CID140720816
Molecular FormulaC4H8BN
Molecular Weight80.93 g/mol
Exact Mass81.07
IUPAC Name—
SMILES[B][C@@H]1CC[C@@H]1N
InChIInChI=1S/C4H8BN/c5-3-1-2-4(3)6/h3-4H,1-2,6H2/t3-,4+/m1/s1
InChIKeyLWLIKKVHRGIWEN-DMTCNVIQSA-N
XLogP0.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.93
LogP ≤ 50.06
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

CID 59161494
CID 59161494
(1,2,3-13C3)cyclopropanamine
CID 76972988
trans-(1R,2R)-2-methylsulfonylcyclobutan-1-amine;hydrochloride
CID 155978246
cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride
CID 66730598
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
platinum;trans-(1R,2R)-cyclopentane-1,2-diamine
CID 87290141
2-cyclopropylcyclobutan-1-amine;hydrochloride
CID 71743824
(2S)-bicyclo[3.1.1]heptan-2-amine
CID 148819936
[(1R,2S)-2-aminocyclobutyl]methanol;hydrochloride
CID 162342272
bicyclo[3.1.0]hexan-2-amine;hydrochloride
CID 78172525
(2-aminocyclobutyl)methanethiol;hydrochloride
CID 23621048
2-ethenylcyclobutan-1-amine
CID 147610634

Frequently Asked Questions

What is the IUPAC name of CID 140720816?
The IUPAC name of CID 140720816 (CID 140720816) is not available.
What is the SMILES notation for CID 140720816?
The canonical SMILES for CID 140720816 is [B][C@@H]1CC[C@@H]1N.
What is the InChIKey of CID 140720816?
The InChIKey is LWLIKKVHRGIWEN-DMTCNVIQSA-N. The full InChI is InChI=1S/C4H8BN/c5-3-1-2-4(3)6/h3-4H,1-2,6H2/t3-,4+/m1/s1.
What are the key properties of CID 140720816?
CID 140720816 has a molecular weight of 80.93 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140720816 is sourced from PubChem (CID 140720816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).