1-(3-azidopropyl)-1-methylcyclopentane

C9H17N3 — CID 22095042

IUPAC1-(3-azidopropyl)-1-methylcyclopentane
SMILESCC1(CCCN=[N+]=[N-])CCCC1
InChIInChI=1S/C9H17N3/c1-9(5-2-3-6-9)7-4-8-11-12-10/h2-8H2,1H3
InChIKeyQCZMGDMGLQCNIK-UHFFFAOYSA-N
MW167.26 g/mol
LogP3.66
Rot. Bonds4

About 1-(3-azidopropyl)-1-methylcyclopentane

1-(3-azidopropyl)-1-methylcyclopentane (PubChem CID 22095042) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(3-azidopropyl)-1-methylcyclopentane.

Molecular Properties

Compound Name1-(3-azidopropyl)-1-methylcyclopentane
PubChem CID22095042
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(3-azidopropyl)-1-methylcyclopentane
SMILESCC1(CCCN=[N+]=[N-])CCCC1
InChIInChI=1S/C9H17N3/c1-9(5-2-3-6-9)7-4-8-11-12-10/h2-8H2,1H3
InChIKeyQCZMGDMGLQCNIK-UHFFFAOYSA-N
XLogP3.66
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(3-azidopropyl)-1-methylcyclopentane 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 1-(3-azidopropyl)-1-methylcyclopentane?
The IUPAC name of 1-(3-azidopropyl)-1-methylcyclopentane (CID 22095042) is 1-(3-azidopropyl)-1-methylcyclopentane.
What is the SMILES notation for 1-(3-azidopropyl)-1-methylcyclopentane?
The canonical SMILES for 1-(3-azidopropyl)-1-methylcyclopentane is CC1(CCCN=[N+]=[N-])CCCC1.
What is the InChIKey of 1-(3-azidopropyl)-1-methylcyclopentane?
The InChIKey is QCZMGDMGLQCNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-9(5-2-3-6-9)7-4-8-11-12-10/h2-8H2,1H3.
What are the key properties of 1-(3-azidopropyl)-1-methylcyclopentane?
1-(3-azidopropyl)-1-methylcyclopentane has a molecular weight of 167.26 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropyl)-1-methylcyclopentane is sourced from PubChem (CID 22095042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).