CID 158752010

C4H11BN — CID 158752010

IUPAC—
SMILESC[B]CCCN
InChIInChI=1S/C4H11BN/c1-5-3-2-4-6/h2-4,6H2,1H3
InChIKeyOCENBPNUGDHEIK-UHFFFAOYSA-N
MW83.95 g/mol
LogP0.51
Rot. Bonds3

About CID 158752010

CID 158752010 (PubChem CID 158752010) has the molecular formula C4H11BN and a molecular weight of 83.95 g/mol.

Molecular Properties

Compound NameCID 158752010
PubChem CID158752010
Molecular FormulaC4H11BN
Molecular Weight83.95 g/mol
Exact Mass84.10
IUPAC Name—
SMILESC[B]CCCN
InChIInChI=1S/C4H11BN/c1-5-3-2-4-6/h2-4,6H2,1H3
InChIKeyOCENBPNUGDHEIK-UHFFFAOYSA-N
XLogP0.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.95
LogP ≤ 50.51
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'}

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Related Compounds

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decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
butane-1,4-diamine;europium
CID 90401592
CID 21315680
CID 21315680
potassium 3-aminopropyl(methyl)silanide
CID 173317280
arsane;ethane-1,2-diamine
CID 174848098
CID 158052826
CID 158052826
CID 159237160
CID 159237160

Frequently Asked Questions

What is the IUPAC name of CID 158752010?
The IUPAC name of CID 158752010 (CID 158752010) is not available.
What is the SMILES notation for CID 158752010?
The canonical SMILES for CID 158752010 is C[B]CCCN.
What is the InChIKey of CID 158752010?
The InChIKey is OCENBPNUGDHEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11BN/c1-5-3-2-4-6/h2-4,6H2,1H3.
What are the key properties of CID 158752010?
CID 158752010 has a molecular weight of 83.95 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158752010 is sourced from PubChem (CID 158752010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).