1-(3-azidopropyl)-2-methylidenecycloheptane

C11H19N3 — CID 10726451

IUPAC1-(3-azidopropyl)-2-methylidenecycloheptane
SMILESC=C1CCCCCC1CCCN=[N+]=[N-]
InChIInChI=1S/C11H19N3/c1-10-6-3-2-4-7-11(10)8-5-9-13-14-12/h11H,1-9H2
InChIKeyAXMVIQSFVJGNEN-UHFFFAOYSA-N
MW193.29 g/mol
LogP4.21
Rot. Bonds4

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

1-(3-azidopropyl)-2-methylidenecycloheptane (PubChem CID 10726451) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(3-azidopropyl)-2-methylidenecycloheptane.

Molecular Properties

Compound Name1-(3-azidopropyl)-2-methylidenecycloheptane
PubChem CID10726451
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(3-azidopropyl)-2-methylidenecycloheptane
SMILESC=C1CCCCCC1CCCN=[N+]=[N-]
InChIInChI=1S/C11H19N3/c1-10-6-3-2-4-7-11(10)8-5-9-13-14-12/h11H,1-9H2
InChIKeyAXMVIQSFVJGNEN-UHFFFAOYSA-N
XLogP4.21
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 54.21
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-methylidenecyclohexane
CID 12964765
trans-(1S,2S)-1-azido-2-prop-2-enylcycloheptane
CID 59465432
cis-(1R,2S)-1-azido-2-prop-2-enylcycloheptane
CID 59636094

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidopropyl)-2-methylidenecycloheptane?
The IUPAC name of 1-(3-azidopropyl)-2-methylidenecycloheptane (CID 10726451) is 1-(3-azidopropyl)-2-methylidenecycloheptane.
What is the SMILES notation for 1-(3-azidopropyl)-2-methylidenecycloheptane?
The canonical SMILES for 1-(3-azidopropyl)-2-methylidenecycloheptane is C=C1CCCCCC1CCCN=[N+]=[N-].
What is the InChIKey of 1-(3-azidopropyl)-2-methylidenecycloheptane?
The InChIKey is AXMVIQSFVJGNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-10-6-3-2-4-7-11(10)8-5-9-13-14-12/h11H,1-9H2.
What are the key properties of 1-(3-azidopropyl)-2-methylidenecycloheptane?
1-(3-azidopropyl)-2-methylidenecycloheptane has a molecular weight of 193.29 g/mol, XLogP of 4.21, 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-methylidenecycloheptane is sourced from PubChem (CID 10726451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).