1-(azidomethyl)-2-methylcyclohexene

C8H13N3 — CID 18621671

IUPAC1-(azidomethyl)-2-methylcyclohexene
SMILESCC1=C(CN=[N+]=[N-])CCCC1
InChIInChI=1S/C8H13N3/c1-7-4-2-3-5-8(7)6-10-11-9/h2-6H2,1H3
InChIKeyGUQXGIGHAPLAER-UHFFFAOYSA-N
MW151.21 g/mol
LogP3.19
Rot. Bonds2

About 1-(azidomethyl)-2-methylcyclohexene

1-(azidomethyl)-2-methylcyclohexene (PubChem CID 18621671) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(azidomethyl)-2-methylcyclohexene.

Molecular Properties

Compound Name1-(azidomethyl)-2-methylcyclohexene
PubChem CID18621671
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-(azidomethyl)-2-methylcyclohexene
SMILESCC1=C(CN=[N+]=[N-])CCCC1
InChIInChI=1S/C8H13N3/c1-7-4-2-3-5-8(7)6-10-11-9/h2-6H2,1H3
InChIKeyGUQXGIGHAPLAER-UHFFFAOYSA-N
XLogP3.19
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 53.19
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-butylcyclopentene
CID 18621681
1-(Azidomethyl)-2-ethylcyclohexene
CID 18621686
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-methylcyclohexene?
The IUPAC name of 1-(azidomethyl)-2-methylcyclohexene (CID 18621671) is 1-(azidomethyl)-2-methylcyclohexene.
What is the SMILES notation for 1-(azidomethyl)-2-methylcyclohexene?
The canonical SMILES for 1-(azidomethyl)-2-methylcyclohexene is CC1=C(CN=[N+]=[N-])CCCC1.
What is the InChIKey of 1-(azidomethyl)-2-methylcyclohexene?
The InChIKey is GUQXGIGHAPLAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-7-4-2-3-5-8(7)6-10-11-9/h2-6H2,1H3.
What are the key properties of 1-(azidomethyl)-2-methylcyclohexene?
1-(azidomethyl)-2-methylcyclohexene has a molecular weight of 151.21 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)-2-methylcyclohexene is sourced from PubChem (CID 18621671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).