1-(2-azidoethyl)-1-methylcyclohexane

C9H17N3 — CID 150618634

IUPAC1-(2-azidoethyl)-1-methylcyclohexane
SMILESCC1(CCN=[N+]=[N-])CCCCC1
InChIInChI=1S/C9H17N3/c1-9(7-8-11-12-10)5-3-2-4-6-9/h2-8H2,1H3
InChIKeyIVKPLRNGULCBIQ-UHFFFAOYSA-N
MW167.26 g/mol
LogP3.66
Rot. Bonds3

About 1-(2-azidoethyl)-1-methylcyclohexane

1-(2-azidoethyl)-1-methylcyclohexane (PubChem CID 150618634) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(2-azidoethyl)-1-methylcyclohexane.

Molecular Properties

Compound Name1-(2-azidoethyl)-1-methylcyclohexane
PubChem CID150618634
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(2-azidoethyl)-1-methylcyclohexane
SMILESCC1(CCN=[N+]=[N-])CCCCC1
InChIInChI=1S/C9H17N3/c1-9(7-8-11-12-10)5-3-2-4-6-9/h2-8H2,1H3
InChIKeyIVKPLRNGULCBIQ-UHFFFAOYSA-N
XLogP3.66
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 53.66
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-1-methylcyclohexane?
The IUPAC name of 1-(2-azidoethyl)-1-methylcyclohexane (CID 150618634) is 1-(2-azidoethyl)-1-methylcyclohexane.
What is the SMILES notation for 1-(2-azidoethyl)-1-methylcyclohexane?
The canonical SMILES for 1-(2-azidoethyl)-1-methylcyclohexane is CC1(CCN=[N+]=[N-])CCCCC1.
What is the InChIKey of 1-(2-azidoethyl)-1-methylcyclohexane?
The InChIKey is IVKPLRNGULCBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-9(7-8-11-12-10)5-3-2-4-6-9/h2-8H2,1H3.
What are the key properties of 1-(2-azidoethyl)-1-methylcyclohexane?
1-(2-azidoethyl)-1-methylcyclohexane has a molecular weight of 167.26 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-1-methylcyclohexane is sourced from PubChem (CID 150618634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).