6-azido-3-methylhex-2-ene

C7H13N3 — CID 123839816

IUPAC6-azido-3-methylhex-2-ene
SMILESCC=C(C)CCCN=[N+]=[N-]
InChIInChI=1S/C7H13N3/c1-3-7(2)5-4-6-9-10-8/h3H,4-6H2,1-2H3
InChIKeyMWMHQJAKHGTGCH-UHFFFAOYSA-N
MW139.20 g/mol
LogP3.04
Rot. Bonds4

About 6-azido-3-methylhex-2-ene

6-azido-3-methylhex-2-ene (PubChem CID 123839816) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-azido-3-methylhex-2-ene.

Molecular Properties

Compound Name6-azido-3-methylhex-2-ene
PubChem CID123839816
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name6-azido-3-methylhex-2-ene
SMILESCC=C(C)CCCN=[N+]=[N-]
InChIInChI=1S/C7H13N3/c1-3-7(2)5-4-6-9-10-8/h3H,4-6H2,1-2H3
InChIKeyMWMHQJAKHGTGCH-UHFFFAOYSA-N
XLogP3.04
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 53.04
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-azido-3-methylhex-2-ene?
The IUPAC name of 6-azido-3-methylhex-2-ene (CID 123839816) is 6-azido-3-methylhex-2-ene.
What is the SMILES notation for 6-azido-3-methylhex-2-ene?
The canonical SMILES for 6-azido-3-methylhex-2-ene is CC=C(C)CCCN=[N+]=[N-].
What is the InChIKey of 6-azido-3-methylhex-2-ene?
The InChIKey is MWMHQJAKHGTGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-7(2)5-4-6-9-10-8/h3H,4-6H2,1-2H3.
What are the key properties of 6-azido-3-methylhex-2-ene?
6-azido-3-methylhex-2-ene has a molecular weight of 139.20 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-3-methylhex-2-ene is sourced from PubChem (CID 123839816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).