3-(azidomethyl)-1-ethylcyclohexene

C9H15N3 — CID 18621673

IUPAC3-(azidomethyl)-1-ethylcyclohexene
SMILESCCC1=CC(CN=[N+]=[N-])CCC1
InChIInChI=1S/C9H15N3/c1-2-8-4-3-5-9(6-8)7-11-12-10/h6,9H,2-5,7H2,1H3
InChIKeyIFHHPGZMZLSINV-UHFFFAOYSA-N
MW165.24 g/mol
LogP3.43
Rot. Bonds3

About 3-(azidomethyl)-1-ethylcyclohexene

3-(azidomethyl)-1-ethylcyclohexene (PubChem CID 18621673) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(azidomethyl)-1-ethylcyclohexene.

Molecular Properties

Compound Name3-(azidomethyl)-1-ethylcyclohexene
PubChem CID18621673
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-(azidomethyl)-1-ethylcyclohexene
SMILESCCC1=CC(CN=[N+]=[N-])CCC1
InChIInChI=1S/C9H15N3/c1-2-8-4-3-5-9(6-8)7-11-12-10/h6,9H,2-5,7H2,1H3
InChIKeyIFHHPGZMZLSINV-UHFFFAOYSA-N
XLogP3.43
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Citronellyl azide
CID 11412737
4-(2-Azido-6-methylhept-5-en-2-yl)-1-methylcyclohexene
CID 134860258
(6R)-8-azido-2,6-dimethyloct-2-ene
CID 135039163
3-(Azidomethyl)-1-methylcyclohexene
CID 18621683
(3S,4R,5R)-4-azido-1,3,5-trimethylcyclohexene
CID 58150819
(3S,4S,5S)-5-azido-1,4-dimethyl-3-prop-2-enylcyclohexene
CID 59076509
(3S,4S,5S)-5-azido-3-ethenyl-1,4-dimethylcyclohexene
CID 59076562
4-(4-Prop-1-en-2-ylcyclohexen-1-yl)hexan-3-yldiazene
CID 123918905
1-(2-Azidoethyl)cyclohexene
CID 130906292
1-(2-Azidoethyl)cyclohexene;molecular hydrogen
CID 167562282
(5S,6R)-5-azido-6,10-dimethylundeca-1,9-diene
CID 10104931
6-(3-Azidopropyl)-1-methylcyclohexene
CID 10773693

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-1-ethylcyclohexene?
The IUPAC name of 3-(azidomethyl)-1-ethylcyclohexene (CID 18621673) is 3-(azidomethyl)-1-ethylcyclohexene.
What is the SMILES notation for 3-(azidomethyl)-1-ethylcyclohexene?
The canonical SMILES for 3-(azidomethyl)-1-ethylcyclohexene is CCC1=CC(CN=[N+]=[N-])CCC1.
What is the InChIKey of 3-(azidomethyl)-1-ethylcyclohexene?
The InChIKey is IFHHPGZMZLSINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-8-4-3-5-9(6-8)7-11-12-10/h6,9H,2-5,7H2,1H3.
What are the key properties of 3-(azidomethyl)-1-ethylcyclohexene?
3-(azidomethyl)-1-ethylcyclohexene has a molecular weight of 165.24 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-1-ethylcyclohexene is sourced from PubChem (CID 18621673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).