1-azido-1-methylcycloundecane

C12H23N3 — CID 121345387

IUPAC1-azido-1-methylcycloundecane
SMILESCC1(N=[N+]=[N-])CCCCCCCCCC1
InChIInChI=1S/C12H23N3/c1-12(14-15-13)10-8-6-4-2-3-5-7-9-11-12/h2-11H2,1H3
InChIKeyIRHMXNAUXGLKRG-UHFFFAOYSA-N
MW209.34 g/mol
LogP4.97
Rot. Bonds1

About 1-azido-1-methylcycloundecane

1-azido-1-methylcycloundecane (PubChem CID 121345387) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-azido-1-methylcycloundecane.

Molecular Properties

Compound Name1-azido-1-methylcycloundecane
PubChem CID121345387
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-azido-1-methylcycloundecane
SMILESCC1(N=[N+]=[N-])CCCCCCCCCC1
InChIInChI=1S/C12H23N3/c1-12(14-15-13)10-8-6-4-2-3-5-7-9-11-12/h2-11H2,1H3
InChIKeyIRHMXNAUXGLKRG-UHFFFAOYSA-N
XLogP4.97
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 54.97
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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Related Compounds

1-azido-1-methylcyclobutane
CID 126726881
1-azido-1-methylcyclopentane;1-methylcyclopentan-1-amine;hydrochloride
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trans-(1R,3S)-1-azido-1,3-dimethylcyclohexane
CID 130763722
3-azido-3-methylcyclobutan-1-amine
CID 150674806
1-azidocyclododecane-1-carbonitrile
CID 24974192
(1-azidocyclohexyl)-propan-2-yldiazene
CID 21386991
1-(2-azidoethyl)-1-methylcyclohexane
CID 150618634
CID 167710109
CID 167710109
2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]
CID 71271431
azane;1,1-diazidocyclopropane
CID 174882116
N'-(1-methylcyclohexyl)methanimidamide
CID 174272573
N'-(1-methylcyclohexyl)methanediimine
CID 87235654

Frequently Asked Questions

What is the IUPAC name of 1-azido-1-methylcycloundecane?
The IUPAC name of 1-azido-1-methylcycloundecane (CID 121345387) is 1-azido-1-methylcycloundecane.
What is the SMILES notation for 1-azido-1-methylcycloundecane?
The canonical SMILES for 1-azido-1-methylcycloundecane is CC1(N=[N+]=[N-])CCCCCCCCCC1.
What is the InChIKey of 1-azido-1-methylcycloundecane?
The InChIKey is IRHMXNAUXGLKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-12(14-15-13)10-8-6-4-2-3-5-7-9-11-12/h2-11H2,1H3.
What are the key properties of 1-azido-1-methylcycloundecane?
1-azido-1-methylcycloundecane has a molecular weight of 209.34 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-1-methylcycloundecane is sourced from PubChem (CID 121345387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).