1-azido-3,3-dimethylbutane;methane

C7H17N3 — CID 159277976

IUPAC1-azido-3,3-dimethylbutane;methane
SMILESC.CC(C)(C)CCN=[N+]=[N-]
InChIInChI=1S/C6H13N3.CH4/c1-6(2,3)4-5-8-9-7;/h4-5H2,1-3H3;1H4
InChIKeyKYNZOPCYCAAVPN-UHFFFAOYSA-N
MW143.23 g/mol
LogP3.37
Rot. Bonds2

About 1-azido-3,3-dimethylbutane;methane

1-azido-3,3-dimethylbutane;methane (PubChem CID 159277976) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-azido-3,3-dimethylbutane;methane.

Molecular Properties

Compound Name1-azido-3,3-dimethylbutane;methane
PubChem CID159277976
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name1-azido-3,3-dimethylbutane;methane
SMILESC.CC(C)(C)CCN=[N+]=[N-]
InChIInChI=1S/C6H13N3.CH4/c1-6(2,3)4-5-8-9-7;/h4-5H2,1-3H3;1H4
InChIKeyKYNZOPCYCAAVPN-UHFFFAOYSA-N
XLogP3.37
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 53.37
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-azido-3,3-dimethylbutane;methane?
The IUPAC name of 1-azido-3,3-dimethylbutane;methane (CID 159277976) is 1-azido-3,3-dimethylbutane;methane.
What is the SMILES notation for 1-azido-3,3-dimethylbutane;methane?
The canonical SMILES for 1-azido-3,3-dimethylbutane;methane is C.CC(C)(C)CCN=[N+]=[N-].
What is the InChIKey of 1-azido-3,3-dimethylbutane;methane?
The InChIKey is KYNZOPCYCAAVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3.CH4/c1-6(2,3)4-5-8-9-7;/h4-5H2,1-3H3;1H4.
What are the key properties of 1-azido-3,3-dimethylbutane;methane?
1-azido-3,3-dimethylbutane;methane has a molecular weight of 143.23 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3,3-dimethylbutane;methane is sourced from PubChem (CID 159277976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).