1-(azidomethyl)-2-ethylcyclohexene

C9H15N3 — CID 18621686

IUPAC1-(azidomethyl)-2-ethylcyclohexene
SMILESCCC1=C(CN=[N+]=[N-])CCCC1
InChIInChI=1S/C9H15N3/c1-2-8-5-3-4-6-9(8)7-11-12-10/h2-7H2,1H3
InChIKeyYPTPETSPISTZSO-UHFFFAOYSA-N
MW165.24 g/mol
LogP3.58
Rot. Bonds3

About 1-(azidomethyl)-2-ethylcyclohexene

1-(azidomethyl)-2-ethylcyclohexene (PubChem CID 18621686) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(azidomethyl)-2-ethylcyclohexene.

Molecular Properties

Compound Name1-(azidomethyl)-2-ethylcyclohexene
PubChem CID18621686
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(azidomethyl)-2-ethylcyclohexene
SMILESCCC1=C(CN=[N+]=[N-])CCCC1
InChIInChI=1S/C9H15N3/c1-2-8-5-3-4-6-9(8)7-11-12-10/h2-7H2,1H3
InChIKeyYPTPETSPISTZSO-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
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

1-(Azidomethyl)-2-methylcyclohexene
CID 18621671
1-(Azidomethyl)-2-butylcyclopentene
CID 18621681
3-Azido-1-ethyl-cyclohexene
CID 86623795
3-Azido-1,2-dimethylcyclohexene
CID 90775284
6-Azido-1-ethylcyclohexene
CID 90971042
1-(2-Azidoethyl)cyclohexene
CID 130906292
1-(2-Azidoethyl)cyclohexene;molecular hydrogen
CID 167562282
1-(1-Azidoethyl)-2-ethynylcyclohexene
CID 12356909
1-(Azidomethyl)cycloheptene
CID 101779656
(6S)-6-azido-1-methyl-4-propan-2-ylidenecyclohexene
CID 130705004

Frequently Asked Questions

What is the IUPAC name of 1-(azidomethyl)-2-ethylcyclohexene?
The IUPAC name of 1-(azidomethyl)-2-ethylcyclohexene (CID 18621686) is 1-(azidomethyl)-2-ethylcyclohexene.
What is the SMILES notation for 1-(azidomethyl)-2-ethylcyclohexene?
The canonical SMILES for 1-(azidomethyl)-2-ethylcyclohexene is CCC1=C(CN=[N+]=[N-])CCCC1.
What is the InChIKey of 1-(azidomethyl)-2-ethylcyclohexene?
The InChIKey is YPTPETSPISTZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-8-5-3-4-6-9(8)7-11-12-10/h2-7H2,1H3.
What are the key properties of 1-(azidomethyl)-2-ethylcyclohexene?
1-(azidomethyl)-2-ethylcyclohexene has a molecular weight of 165.24 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)-2-ethylcyclohexene is sourced from PubChem (CID 18621686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).