cyclohexane azide

C6H12N3- — CID 18668457

IUPACcyclohexane azide
SMILESC1CCCCC1.[N-]=[N+]=[N-]
InChIInChI=1S/C6H12.N3/c1-2-4-6-5-3-1;1-3-2/h1-6H2;/q;-1
InChIKeySWTZAABCVQSAON-UHFFFAOYSA-N
MW126.18 g/mol
LogP3.21
Rot. Bonds

About cyclohexane azide

cyclohexane azide (PubChem CID 18668457) has the molecular formula C6H12N3- and a molecular weight of 126.18 g/mol. Its IUPAC name is cyclohexane azide.

Molecular Properties

Compound Namecyclohexane azide
PubChem CID18668457
Molecular FormulaC6H12N3-
Molecular Weight126.18 g/mol
Exact Mass126.10
IUPAC Namecyclohexane azide
SMILESC1CCCCC1.[N-]=[N+]=[N-]
InChIInChI=1S/C6H12.N3/c1-2-4-6-5-3-1;1-3-2/h1-6H2;/q;-1
InChIKeySWTZAABCVQSAON-UHFFFAOYSA-N
XLogP3.21
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

diazide;hydrochloride
CID 172846328
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CID 57468320
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CID 18957614
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CID 173440998
sodium bis(15N)(azanidylidene)(15N)azanium
CID 169446442
ruthenium(3+) triazide
CID 11424680
cyclobutane;cyclopropane
CID 159057906
cyclooctacosane
CID 520451
cyclooctane
CID 9266
cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane
CID 159212715
cyclopentane
CID 141332554
cycloheptane;cyclopropane
CID 165090184

Frequently Asked Questions

What is the IUPAC name of cyclohexane azide?
The IUPAC name of cyclohexane azide (CID 18668457) is cyclohexane azide.
What is the SMILES notation for cyclohexane azide?
The canonical SMILES for cyclohexane azide is C1CCCCC1.[N-]=[N+]=[N-].
What is the InChIKey of cyclohexane azide?
The InChIKey is SWTZAABCVQSAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.N3/c1-2-4-6-5-3-1;1-3-2/h1-6H2;/q;-1.
What are the key properties of cyclohexane azide?
cyclohexane azide has a molecular weight of 126.18 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane azide is sourced from PubChem (CID 18668457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).