(E)-2-azido-4,4-dimethylpent-2-ene

C7H13N3 — CID 134986194

IUPAC(E)-2-azido-4,4-dimethylpent-2-ene
SMILESC/C(=C\C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C7H13N3/c1-6(9-10-8)5-7(2,3)4/h5H,1-4H3/b6-5+
InChIKeyHITITIGANZYMCD-AATRIKPKSA-N
MW139.20 g/mol
LogP3.25
Rot. Bonds1

About (E)-2-azido-4,4-dimethylpent-2-ene

(E)-2-azido-4,4-dimethylpent-2-ene (PubChem CID 134986194) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (E)-2-azido-4,4-dimethylpent-2-ene.

Molecular Properties

Compound Name(E)-2-azido-4,4-dimethylpent-2-ene
PubChem CID134986194
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(E)-2-azido-4,4-dimethylpent-2-ene
SMILESC/C(=C\C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C7H13N3/c1-6(9-10-8)5-7(2,3)4/h5H,1-4H3/b6-5+
InChIKeyHITITIGANZYMCD-AATRIKPKSA-N
XLogP3.25
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 53.25
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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Related Compounds

N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine
CID 59179900
(Z)-2-isocyano-4,4-dimethylpent-2-ene
CID 88856835
(Z)-2,2,3,5,5-pentamethylhex-3-ene
CID 22966710
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine
CID 161135857
(Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine
CID 59179886
N-prop-1-en-2-ylethanimidoyl azide
CID 139547217
tert-butyl N-diazocarbamoperoxoate
CID 54430086
(E)-2,2,4-trimethylhex-3-ene
CID 5365974
[azido-(ditert-butylamino)methylidene]-ditert-butylazanium
CID 155784316
(E)-but-2-enoyl azide
CID 23443326
1,1-difluoro-3,3-dimethylbut-1-ene
CID 11542776
4-[(Z)-2-azidoprop-1-enyl]-2-chloro-1-methoxybenzene
CID 140937046

Frequently Asked Questions

What is the IUPAC name of (E)-2-azido-4,4-dimethylpent-2-ene?
The IUPAC name of (E)-2-azido-4,4-dimethylpent-2-ene (CID 134986194) is (E)-2-azido-4,4-dimethylpent-2-ene.
What is the SMILES notation for (E)-2-azido-4,4-dimethylpent-2-ene?
The canonical SMILES for (E)-2-azido-4,4-dimethylpent-2-ene is C/C(=C\C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of (E)-2-azido-4,4-dimethylpent-2-ene?
The InChIKey is HITITIGANZYMCD-AATRIKPKSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(9-10-8)5-7(2,3)4/h5H,1-4H3/b6-5+.
What are the key properties of (E)-2-azido-4,4-dimethylpent-2-ene?
(E)-2-azido-4,4-dimethylpent-2-ene has a molecular weight of 139.20 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-azido-4,4-dimethylpent-2-ene is sourced from PubChem (CID 134986194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).