6-azido-4,4-dimethylhex-1-ene

C8H15N3 — CID 59266469

IUPAC6-azido-4,4-dimethylhex-1-ene
SMILESC=CCC(C)(C)CCN=[N+]=[N-]
InChIInChI=1S/C8H15N3/c1-4-5-8(2,3)6-7-10-11-9/h4H,1,5-7H2,2-3H3
InChIKeyQVUBWEUSKIULBJ-UHFFFAOYSA-N
MW153.23 g/mol
LogP3.29
Rot. Bonds5

About 6-azido-4,4-dimethylhex-1-ene

6-azido-4,4-dimethylhex-1-ene (PubChem CID 59266469) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 6-azido-4,4-dimethylhex-1-ene.

Molecular Properties

Compound Name6-azido-4,4-dimethylhex-1-ene
PubChem CID59266469
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name6-azido-4,4-dimethylhex-1-ene
SMILESC=CCC(C)(C)CCN=[N+]=[N-]
InChIInChI=1S/C8H15N3/c1-4-5-8(2,3)6-7-10-11-9/h4H,1,5-7H2,2-3H3
InChIKeyQVUBWEUSKIULBJ-UHFFFAOYSA-N
XLogP3.29
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 53.29
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-4-methylazo-1-pentene
CID 129741386
3,3-Dimethylhex-5-enylimino(imino)azanium
CID 89136249
7-Azido-5-methylhept-1-ene
CID 151710885
4-(Azidomethyl)-4-prop-2-enylhepta-1,6-diene
CID 164754125
7-Azido-4,4,6,6-tetramethylhept-1-ene
CID 173498315
2-(2-Azidoethyl)-2-prop-2-enylpropanedinitrile
CID 12119443

Frequently Asked Questions

What is the IUPAC name of 6-azido-4,4-dimethylhex-1-ene?
The IUPAC name of 6-azido-4,4-dimethylhex-1-ene (CID 59266469) is 6-azido-4,4-dimethylhex-1-ene.
What is the SMILES notation for 6-azido-4,4-dimethylhex-1-ene?
The canonical SMILES for 6-azido-4,4-dimethylhex-1-ene is C=CCC(C)(C)CCN=[N+]=[N-].
What is the InChIKey of 6-azido-4,4-dimethylhex-1-ene?
The InChIKey is QVUBWEUSKIULBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-5-8(2,3)6-7-10-11-9/h4H,1,5-7H2,2-3H3.
What are the key properties of 6-azido-4,4-dimethylhex-1-ene?
6-azido-4,4-dimethylhex-1-ene has a molecular weight of 153.23 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-4,4-dimethylhex-1-ene is sourced from PubChem (CID 59266469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).