azido(cyclopentyl)methanamine

C6H12N4 — CID 143172913

IUPACazido(cyclopentyl)methanamine
SMILES[N-]=[N+]=NC(N)C1CCCC1
InChIInChI=1S/C6H12N4/c7-6(9-10-8)5-3-1-2-4-5/h5-6H,1-4,7H2
InChIKeySFEYKPASXGLWFG-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.77
Rot. Bonds2

About azido(cyclopentyl)methanamine

azido(cyclopentyl)methanamine (PubChem CID 143172913) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is azido(cyclopentyl)methanamine.

Molecular Properties

Compound Nameazido(cyclopentyl)methanamine
PubChem CID143172913
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Nameazido(cyclopentyl)methanamine
SMILES[N-]=[N+]=NC(N)C1CCCC1
InChIInChI=1S/C6H12N4/c7-6(9-10-8)5-3-1-2-4-5/h5-6H,1-4,7H2
InChIKeySFEYKPASXGLWFG-UHFFFAOYSA-N
XLogP1.77
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}

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Frequently Asked Questions

What is the IUPAC name of azido(cyclopentyl)methanamine?
The IUPAC name of azido(cyclopentyl)methanamine (CID 143172913) is azido(cyclopentyl)methanamine.
What is the SMILES notation for azido(cyclopentyl)methanamine?
The canonical SMILES for azido(cyclopentyl)methanamine is [N-]=[N+]=NC(N)C1CCCC1.
What is the InChIKey of azido(cyclopentyl)methanamine?
The InChIKey is SFEYKPASXGLWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c7-6(9-10-8)5-3-1-2-4-5/h5-6H,1-4,7H2.
What are the key properties of azido(cyclopentyl)methanamine?
azido(cyclopentyl)methanamine has a molecular weight of 140.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azido(cyclopentyl)methanamine is sourced from PubChem (CID 143172913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).