CID 21315680

C3H10BN2 — CID 21315680

IUPAC—
SMILESNCCCN.[B]
InChIInChI=1S/C3H10N2.B/c4-2-1-3-5;/h1-5H2;
InChIKeyHHZBYVMIFSZMEH-UHFFFAOYSA-N
MW84.94 g/mol
LogP-1.09
Rot. Bonds2

About CID 21315680

CID 21315680 (PubChem CID 21315680) has the molecular formula C3H10BN2 and a molecular weight of 84.94 g/mol.

Molecular Properties

Compound NameCID 21315680
PubChem CID21315680
Molecular FormulaC3H10BN2
Molecular Weight84.94 g/mol
Exact Mass85.09
IUPAC Name—
SMILESNCCCN.[B]
InChIInChI=1S/C3H10N2.B/c4-2-1-3-5;/h1-5H2;
InChIKeyHHZBYVMIFSZMEH-UHFFFAOYSA-N
XLogP-1.09
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.94
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 21315680 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iron(3+);propane-1,3-diamine
CID 18953212
butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786
hydron;propane-1,3-diamine;iodide
CID 175361100
platinum(2+);propane-1,3-diamine;dichloride
CID 11717080
ethene;propane-1,3-diamine
CID 158358945
ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 174976752
azane;butane-1,4-diamine
CID 87378889
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
butane-1,4-diamine;europium
CID 90401592
nickel(2+);tris(propane-1,3-diamine);diperchlorate
CID 71677191

Frequently Asked Questions

What is the IUPAC name of CID 21315680?
The IUPAC name of CID 21315680 (CID 21315680) is not available.
What is the SMILES notation for CID 21315680?
The canonical SMILES for CID 21315680 is NCCCN.[B].
What is the InChIKey of CID 21315680?
The InChIKey is HHZBYVMIFSZMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2.B/c4-2-1-3-5;/h1-5H2;.
What are the key properties of CID 21315680?
CID 21315680 has a molecular weight of 84.94 g/mol, XLogP of -1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21315680 is sourced from PubChem (CID 21315680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).