1-(3-azidopropyl)-2-methylidenecyclohexane

C10H17N3 — CID 12964765

IUPAC1-(3-azidopropyl)-2-methylidenecyclohexane
SMILESC=C1CCCCC1CCCN=[N+]=[N-]
InChIInChI=1S/C10H17N3/c1-9-5-2-3-6-10(9)7-4-8-12-13-11/h10H,1-8H2
InChIKeyNRHZLDTYGDXCMS-UHFFFAOYSA-N
MW179.27 g/mol
LogP3.82
Rot. Bonds4

About 1-(3-azidopropyl)-2-methylidenecyclohexane

1-(3-azidopropyl)-2-methylidenecyclohexane (PubChem CID 12964765) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(3-azidopropyl)-2-methylidenecyclohexane.

Molecular Properties

Compound Name1-(3-azidopropyl)-2-methylidenecyclohexane
PubChem CID12964765
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(3-azidopropyl)-2-methylidenecyclohexane
SMILESC=C1CCCCC1CCCN=[N+]=[N-]
InChIInChI=1S/C10H17N3/c1-9-5-2-3-6-10(9)7-4-8-12-13-11/h10H,1-8H2
InChIKeyNRHZLDTYGDXCMS-UHFFFAOYSA-N
XLogP3.82
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 53.82
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-Azidopropyl)-2-methylidenecyclopentane
CID 11355679
1-(3-Azidopropyl)-2-methylidenecycloheptane
CID 10726451
Methyl-(2-methyl-4-methylidenecyclohexyl)diazene
CID 145563996
6-(3-Azidopropyl)-1-methylcyclohexene
CID 10773693
1-(1-Azidopropyl)-2-methylidenecyclohexane
CID 101733746

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidopropyl)-2-methylidenecyclohexane?
The IUPAC name of 1-(3-azidopropyl)-2-methylidenecyclohexane (CID 12964765) is 1-(3-azidopropyl)-2-methylidenecyclohexane.
What is the SMILES notation for 1-(3-azidopropyl)-2-methylidenecyclohexane?
The canonical SMILES for 1-(3-azidopropyl)-2-methylidenecyclohexane is C=C1CCCCC1CCCN=[N+]=[N-].
What is the InChIKey of 1-(3-azidopropyl)-2-methylidenecyclohexane?
The InChIKey is NRHZLDTYGDXCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9-5-2-3-6-10(9)7-4-8-12-13-11/h10H,1-8H2.
What are the key properties of 1-(3-azidopropyl)-2-methylidenecyclohexane?
1-(3-azidopropyl)-2-methylidenecyclohexane has a molecular weight of 179.27 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropyl)-2-methylidenecyclohexane is sourced from PubChem (CID 12964765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).