(3-azido-3-methylbutyl)cyclohexane

C11H21N3 — CID 146447412

IUPAC(3-azido-3-methylbutyl)cyclohexane
SMILESCC(C)(CCC1CCCCC1)N=[N+]=[N-]
InChIInChI=1S/C11H21N3/c1-11(2,13-14-12)9-8-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
InChIKeyKWWAUUFUCVYOJV-UHFFFAOYSA-N
MW195.31 g/mol
LogP4.44
Rot. Bonds4

About (3-azido-3-methylbutyl)cyclohexane

(3-azido-3-methylbutyl)cyclohexane (PubChem CID 146447412) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (3-azido-3-methylbutyl)cyclohexane.

Molecular Properties

Compound Name(3-azido-3-methylbutyl)cyclohexane
PubChem CID146447412
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(3-azido-3-methylbutyl)cyclohexane
SMILESCC(C)(CCC1CCCCC1)N=[N+]=[N-]
InChIInChI=1S/C11H21N3/c1-11(2,13-14-12)9-8-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
InChIKeyKWWAUUFUCVYOJV-UHFFFAOYSA-N
XLogP4.44
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 54.44
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 (3-azido-3-methylbutyl)cyclohexane?
The IUPAC name of (3-azido-3-methylbutyl)cyclohexane (CID 146447412) is (3-azido-3-methylbutyl)cyclohexane.
What is the SMILES notation for (3-azido-3-methylbutyl)cyclohexane?
The canonical SMILES for (3-azido-3-methylbutyl)cyclohexane is CC(C)(CCC1CCCCC1)N=[N+]=[N-].
What is the InChIKey of (3-azido-3-methylbutyl)cyclohexane?
The InChIKey is KWWAUUFUCVYOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-11(2,13-14-12)9-8-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3.
What are the key properties of (3-azido-3-methylbutyl)cyclohexane?
(3-azido-3-methylbutyl)cyclohexane has a molecular weight of 195.31 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-azido-3-methylbutyl)cyclohexane is sourced from PubChem (CID 146447412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).