2-azido-2,6-dimethylheptane

C9H19N3 — CID 23519410

IUPAC2-azido-2,6-dimethylheptane
SMILESCC(C)CCCC(C)(C)N=[N+]=[N-]
InChIInChI=1S/C9H19N3/c1-8(2)6-5-7-9(3,4)11-12-10/h8H,5-7H2,1-4H3
InChIKeyRZJCNWPSXHOLET-UHFFFAOYSA-N
MW169.27 g/mol
LogP3.90
Rot. Bonds5

About 2-azido-2,6-dimethylheptane

2-azido-2,6-dimethylheptane (PubChem CID 23519410) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-azido-2,6-dimethylheptane.

Molecular Properties

Compound Name2-azido-2,6-dimethylheptane
PubChem CID23519410
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-azido-2,6-dimethylheptane
SMILESCC(C)CCCC(C)(C)N=[N+]=[N-]
InChIInChI=1S/C9H19N3/c1-8(2)6-5-7-9(3,4)11-12-10/h8H,5-7H2,1-4H3
InChIKeyRZJCNWPSXHOLET-UHFFFAOYSA-N
XLogP3.90
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 53.90
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 2-azido-2,6-dimethylheptane?
The IUPAC name of 2-azido-2,6-dimethylheptane (CID 23519410) is 2-azido-2,6-dimethylheptane.
What is the SMILES notation for 2-azido-2,6-dimethylheptane?
The canonical SMILES for 2-azido-2,6-dimethylheptane is CC(C)CCCC(C)(C)N=[N+]=[N-].
What is the InChIKey of 2-azido-2,6-dimethylheptane?
The InChIKey is RZJCNWPSXHOLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-8(2)6-5-7-9(3,4)11-12-10/h8H,5-7H2,1-4H3.
What are the key properties of 2-azido-2,6-dimethylheptane?
2-azido-2,6-dimethylheptane has a molecular weight of 169.27 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-2,6-dimethylheptane is sourced from PubChem (CID 23519410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).