1-azido-2-methoxy-4-methylpentane

C7H15N3O — CID 18003646

IUPAC1-azido-2-methoxy-4-methylpentane
SMILESCOC(CN=[N+]=[N-])CC(C)C
InChIInChI=1S/C7H15N3O/c1-6(2)4-7(11-3)5-9-10-8/h6-7H,4-5H2,1-3H3
InChIKeyYBUWMBRGTPWWCB-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.36
Rot. Bonds5

About 1-azido-2-methoxy-4-methylpentane

1-azido-2-methoxy-4-methylpentane (PubChem CID 18003646) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-azido-2-methoxy-4-methylpentane.

Molecular Properties

Compound Name1-azido-2-methoxy-4-methylpentane
PubChem CID18003646
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-azido-2-methoxy-4-methylpentane
SMILESCOC(CN=[N+]=[N-])CC(C)C
InChIInChI=1S/C7H15N3O/c1-6(2)4-7(11-3)5-9-10-8/h6-7H,4-5H2,1-3H3
InChIKeyYBUWMBRGTPWWCB-UHFFFAOYSA-N
XLogP2.36
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze 1-azido-2-methoxy-4-methylpentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-methoxy-4-methylpentane?
The IUPAC name of 1-azido-2-methoxy-4-methylpentane (CID 18003646) is 1-azido-2-methoxy-4-methylpentane.
What is the SMILES notation for 1-azido-2-methoxy-4-methylpentane?
The canonical SMILES for 1-azido-2-methoxy-4-methylpentane is COC(CN=[N+]=[N-])CC(C)C.
What is the InChIKey of 1-azido-2-methoxy-4-methylpentane?
The InChIKey is YBUWMBRGTPWWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-6(2)4-7(11-3)5-9-10-8/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-azido-2-methoxy-4-methylpentane?
1-azido-2-methoxy-4-methylpentane has a molecular weight of 157.22 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-methoxy-4-methylpentane is sourced from PubChem (CID 18003646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).