3-azido-N-methylpropan-1-amine;hydrochloride

C4H11ClN4 — CID 86672808

IUPAC3-azido-N-methylpropan-1-amine;hydrochloride
SMILESCNCCCN=[N+]=[N-].Cl
InChIInChI=1S/C4H10N4.ClH/c1-6-3-2-4-7-8-5;/h6H,2-4H2,1H3;1H
InChIKeyBAXXWELICFCRRB-UHFFFAOYSA-N
MW150.61 g/mol
LogP1.33
Rot. Bonds4

About 3-azido-N-methylpropan-1-amine;hydrochloride

3-azido-N-methylpropan-1-amine;hydrochloride (PubChem CID 86672808) has the molecular formula C4H11ClN4 and a molecular weight of 150.61 g/mol. Its IUPAC name is 3-azido-N-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-azido-N-methylpropan-1-amine;hydrochloride
PubChem CID86672808
Molecular FormulaC4H11ClN4
Molecular Weight150.61 g/mol
Exact Mass150.07
IUPAC Name3-azido-N-methylpropan-1-amine;hydrochloride
SMILESCNCCCN=[N+]=[N-].Cl
InChIInChI=1S/C4H10N4.ClH/c1-6-3-2-4-7-8-5;/h6H,2-4H2,1H3;1H
InChIKeyBAXXWELICFCRRB-UHFFFAOYSA-N
XLogP1.33
TPSA60.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 3-azido-N-methylpropan-1-amine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-azido-N-methylpropan-1-amine;hydrochloride?
The IUPAC name of 3-azido-N-methylpropan-1-amine;hydrochloride (CID 86672808) is 3-azido-N-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-azido-N-methylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-azido-N-methylpropan-1-amine;hydrochloride is CNCCCN=[N+]=[N-].Cl.
What is the InChIKey of 3-azido-N-methylpropan-1-amine;hydrochloride?
The InChIKey is BAXXWELICFCRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4.ClH/c1-6-3-2-4-7-8-5;/h6H,2-4H2,1H3;1H.
What are the key properties of 3-azido-N-methylpropan-1-amine;hydrochloride?
3-azido-N-methylpropan-1-amine;hydrochloride has a molecular weight of 150.61 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-N-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 86672808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).