CID 144820013

C5H11BN — CID 144820013

IUPAC—
SMILESCC1[B]C(C)NC1
InChIInChI=1S/C5H11BN/c1-4-3-7-5(2)6-4/h4-5,7H,3H2,1-2H3
InChIKeyQWRCLQDPQUNHJD-UHFFFAOYSA-N
MW95.96 g/mol
LogP0.45
Rot. Bonds

About CID 144820013

CID 144820013 (PubChem CID 144820013) has the molecular formula C5H11BN and a molecular weight of 95.96 g/mol.

Molecular Properties

Compound NameCID 144820013
PubChem CID144820013
Molecular FormulaC5H11BN
Molecular Weight95.96 g/mol
Exact Mass96.10
IUPAC Name—
SMILESCC1[B]C(C)NC1
InChIInChI=1S/C5H11BN/c1-4-3-7-5(2)6-4/h4-5,7H,3H2,1-2H3
InChIKeyQWRCLQDPQUNHJD-UHFFFAOYSA-N
XLogP0.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.96
LogP ≤ 50.45
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

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(2R,7S)-2,7-dimethylazocane
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2-methylpyrrolidine
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2-methylpyrrolidine
CID 142041388
(2R,3R)-3-fluoro-2-methylazetidine
CID 135396219
(3S,3aS,7aS)-3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 92844990
3-methyl-1,4,7,10-tetrazacyclotridecane
CID 134246892
(2R,6S)-2,6-dimethylazepane;hydrochloride
CID 66594946
6-methyl-3-azabicyclo[3.1.0]hexan-2-amine
CID 166127806

Frequently Asked Questions

What is the IUPAC name of CID 144820013?
The IUPAC name of CID 144820013 (CID 144820013) is not available.
What is the SMILES notation for CID 144820013?
The canonical SMILES for CID 144820013 is CC1[B]C(C)NC1.
What is the InChIKey of CID 144820013?
The InChIKey is QWRCLQDPQUNHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BN/c1-4-3-7-5(2)6-4/h4-5,7H,3H2,1-2H3.
What are the key properties of CID 144820013?
CID 144820013 has a molecular weight of 95.96 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144820013 is sourced from PubChem (CID 144820013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).