4-(azidomethyl)-2-methylhexane

C8H17N3 — CID 22943794

IUPAC4-(azidomethyl)-2-methylhexane
SMILESCCC(CN=[N+]=[N-])CC(C)C
InChIInChI=1S/C8H17N3/c1-4-8(5-7(2)3)6-10-11-9/h7-8H,4-6H2,1-3H3
InChIKeyHJMCPNWKESSOGD-UHFFFAOYSA-N
MW155.25 g/mol
LogP3.37
Rot. Bonds5

About 4-(azidomethyl)-2-methylhexane

4-(azidomethyl)-2-methylhexane (PubChem CID 22943794) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 4-(azidomethyl)-2-methylhexane.

Molecular Properties

Compound Name4-(azidomethyl)-2-methylhexane
PubChem CID22943794
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name4-(azidomethyl)-2-methylhexane
SMILESCCC(CN=[N+]=[N-])CC(C)C
InChIInChI=1S/C8H17N3/c1-4-8(5-7(2)3)6-10-11-9/h7-8H,4-6H2,1-3H3
InChIKeyHJMCPNWKESSOGD-UHFFFAOYSA-N
XLogP3.37
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
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 4-(azidomethyl)-2-methylhexane?
The IUPAC name of 4-(azidomethyl)-2-methylhexane (CID 22943794) is 4-(azidomethyl)-2-methylhexane.
What is the SMILES notation for 4-(azidomethyl)-2-methylhexane?
The canonical SMILES for 4-(azidomethyl)-2-methylhexane is CCC(CN=[N+]=[N-])CC(C)C.
What is the InChIKey of 4-(azidomethyl)-2-methylhexane?
The InChIKey is HJMCPNWKESSOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-8(5-7(2)3)6-10-11-9/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-(azidomethyl)-2-methylhexane?
4-(azidomethyl)-2-methylhexane has a molecular weight of 155.25 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-2-methylhexane is sourced from PubChem (CID 22943794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).