CID 59161494

C3H6BN — CID 59161494

IUPAC—
SMILES[B][C@H]1C[C@H]1N
InChIInChI=1S/C3H6BN/c4-2-1-3(2)5/h2-3H,1,5H2/t2-,3+/m0/s1
InChIKeyUMCJVXQLICFFJE-STHAYSLISA-N
MW66.90 g/mol
LogP-0.33
Rot. Bonds

About CID 59161494

CID 59161494 (PubChem CID 59161494) has the molecular formula C3H6BN and a molecular weight of 66.90 g/mol.

Molecular Properties

Compound NameCID 59161494
PubChem CID59161494
Molecular FormulaC3H6BN
Molecular Weight66.90 g/mol
Exact Mass67.06
IUPAC Name—
SMILES[B][C@H]1C[C@H]1N
InChIInChI=1S/C3H6BN/c4-2-1-3(2)5/h2-3H,1,5H2/t2-,3+/m0/s1
InChIKeyUMCJVXQLICFFJE-STHAYSLISA-N
XLogP-0.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.90
LogP ≤ 5-0.33
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 140720816
CID 140720816
[(1R,2R)-2-aminocyclopropyl]azanium
CID 86306440
2-fluorocyclopropan-1-amine
CID 10197614
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
CID 140504974
CID 140504974
CID 59892756
CID 59892756
cis-(1S,2R)-2-methylcyclopropan-1-amine;hydrochloride
CID 146012745
(1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine
CID 11423598
bicyclo[2.2.1]heptane-2,5-diamine
CID 4169642
bicyclo[4.1.0]heptane-3,4-diamine;dihydrochloride
CID 146472088
cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine
CID 99999285
cis-(4S,6R)-4,6-diaminocyclohexane-1,2,3-triol
CID 25245099

Frequently Asked Questions

What is the IUPAC name of CID 59161494?
The IUPAC name of CID 59161494 (CID 59161494) is not available.
What is the SMILES notation for CID 59161494?
The canonical SMILES for CID 59161494 is [B][C@H]1C[C@H]1N.
What is the InChIKey of CID 59161494?
The InChIKey is UMCJVXQLICFFJE-STHAYSLISA-N. The full InChI is InChI=1S/C3H6BN/c4-2-1-3(2)5/h2-3H,1,5H2/t2-,3+/m0/s1.
What are the key properties of CID 59161494?
CID 59161494 has a molecular weight of 66.90 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59161494 is sourced from PubChem (CID 59161494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).