3,3-dimethylhex-5-enylimino(imino)azanium

C8H16N3+ — CID 89136249

IUPAC3,3-dimethylhex-5-enylimino(imino)azanium
SMILESC=CCC(C)(C)CCN=[N+]=N
InChIInChI=1S/C8H16N3/c1-4-5-8(2,3)6-7-10-11-9/h4,9H,1,5-7H2,2-3H3/q+1
InChIKeyKBPHVJYDJZYWHH-UHFFFAOYSA-N
MW154.24 g/mol
LogP2.53
Rot. Bonds5

About 3,3-dimethylhex-5-enylimino(imino)azanium

3,3-dimethylhex-5-enylimino(imino)azanium (PubChem CID 89136249) has the molecular formula C8H16N3+ and a molecular weight of 154.24 g/mol. Its IUPAC name is 3,3-dimethylhex-5-enylimino(imino)azanium.

Molecular Properties

Compound Name3,3-dimethylhex-5-enylimino(imino)azanium
PubChem CID89136249
Molecular FormulaC8H16N3+
Molecular Weight154.24 g/mol
Exact Mass154.13
IUPAC Name3,3-dimethylhex-5-enylimino(imino)azanium
SMILESC=CCC(C)(C)CCN=[N+]=N
InChIInChI=1S/C8H16N3/c1-4-5-8(2,3)6-7-10-11-9/h4,9H,1,5-7H2,2-3H3/q+1
InChIKeyKBPHVJYDJZYWHH-UHFFFAOYSA-N
XLogP2.53
TPSA50.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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
6-Azido-4,4-dimethylhex-1-ene
CID 59266469
5-Methylhept-6-enyldiazene
CID 143872731
4-(Azidomethyl)-4-prop-2-enylhepta-1,6-diene
CID 164754125
7-Azido-4,4,6,6-tetramethylhept-1-ene
CID 173498315

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylhex-5-enylimino(imino)azanium?
The IUPAC name of 3,3-dimethylhex-5-enylimino(imino)azanium (CID 89136249) is 3,3-dimethylhex-5-enylimino(imino)azanium.
What is the SMILES notation for 3,3-dimethylhex-5-enylimino(imino)azanium?
The canonical SMILES for 3,3-dimethylhex-5-enylimino(imino)azanium is C=CCC(C)(C)CCN=[N+]=N.
What is the InChIKey of 3,3-dimethylhex-5-enylimino(imino)azanium?
The InChIKey is KBPHVJYDJZYWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N3/c1-4-5-8(2,3)6-7-10-11-9/h4,9H,1,5-7H2,2-3H3/q+1.
What are the key properties of 3,3-dimethylhex-5-enylimino(imino)azanium?
3,3-dimethylhex-5-enylimino(imino)azanium has a molecular weight of 154.24 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylhex-5-enylimino(imino)azanium is sourced from PubChem (CID 89136249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).