1-azido-7,7-dimethyloctane

C10H21N3 — CID 58896055

IUPAC1-azido-7,7-dimethyloctane
SMILESCC(C)(C)CCCCCCN=[N+]=[N-]
InChIInChI=1S/C10H21N3/c1-10(2,3)8-6-4-5-7-9-12-13-11/h4-9H2,1-3H3
InChIKeyXZUWBNLYWVRWAC-UHFFFAOYSA-N
MW183.30 g/mol
LogP4.29
Rot. Bonds6

About 1-azido-7,7-dimethyloctane

1-azido-7,7-dimethyloctane (PubChem CID 58896055) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-azido-7,7-dimethyloctane.

Molecular Properties

Compound Name1-azido-7,7-dimethyloctane
PubChem CID58896055
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-azido-7,7-dimethyloctane
SMILESCC(C)(C)CCCCCCN=[N+]=[N-]
InChIInChI=1S/C10H21N3/c1-10(2,3)8-6-4-5-7-9-12-13-11/h4-9H2,1-3H3
InChIKeyXZUWBNLYWVRWAC-UHFFFAOYSA-N
XLogP4.29
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-7,7-dimethyloctane?
The IUPAC name of 1-azido-7,7-dimethyloctane (CID 58896055) is 1-azido-7,7-dimethyloctane.
What is the SMILES notation for 1-azido-7,7-dimethyloctane?
The canonical SMILES for 1-azido-7,7-dimethyloctane is CC(C)(C)CCCCCCN=[N+]=[N-].
What is the InChIKey of 1-azido-7,7-dimethyloctane?
The InChIKey is XZUWBNLYWVRWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-10(2,3)8-6-4-5-7-9-12-13-11/h4-9H2,1-3H3.
What are the key properties of 1-azido-7,7-dimethyloctane?
1-azido-7,7-dimethyloctane has a molecular weight of 183.30 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-7,7-dimethyloctane is sourced from PubChem (CID 58896055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).