(3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene

C10H17N3 — CID 58272050

IUPAC(3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene
SMILESC=C/C(=C\C)C(CC)CCN=[N+]=[N-]
InChIInChI=1S/C10H17N3/c1-4-9(5-2)10(6-3)7-8-12-13-11/h4-5,10H,1,6-8H2,2-3H3/b9-5+
InChIKeyMFNMVLZMNZXSMX-WEVVVXLNSA-N
MW179.27 g/mol
LogP3.85
Rot. Bonds6

About (3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene

(3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene (PubChem CID 58272050) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene.

Molecular Properties

Compound Name(3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene
PubChem CID58272050
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene
SMILESC=C/C(=C\C)C(CC)CCN=[N+]=[N-]
InChIInChI=1S/C10H17N3/c1-4-9(5-2)10(6-3)7-8-12-13-11/h4-5,10H,1,6-8H2,2-3H3/b9-5+
InChIKeyMFNMVLZMNZXSMX-WEVVVXLNSA-N
XLogP3.85
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 53.85
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': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Citronellyl azide
CID 11412737
(6R)-8-azido-2,6-dimethyloct-2-ene
CID 135039163
2(R),3(S),7-trimethyl-1-azido-6-octene
CID 22872575
1-(2-azidopropyl)-5-methyl-4,5-dihydro-1H-indene
CID 56982295
8-Methyl-1,4,4a,5-tetrahydrophthalazine
CID 91357672
1-[4-(Azidomethyl)cyclohexa-1,5-dien-1-yl]-4-methylcyclohexa-1,3-diene
CID 118227562
(5R)-5-(2-azidoethyl)-2-methylcyclopenta-1,3-diene
CID 129161146
(E)-9-azido-2-methylnon-3-ene
CID 131980124
(2Z,5E)-5-ethenyl-2,4,7-trimethylnona-2,5-diene-1-diazonium
CID 154981386
(2,4-Dimethylcyclohexa-2,4-dien-1-yl)methyl-methyldiazene
CID 163901863
methyl-[(Z)-5-methyl-2-prop-1-en-2-ylhex-2-enyl]diazene
CID 167036941
ethane;ethyl(2-methylbutyl)diazene;(3Z,5Z)-4-methylhepta-1,3,5-triene
CID 170606644

Frequently Asked Questions

What is the IUPAC name of (3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene?
The IUPAC name of (3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene (CID 58272050) is (3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene.
What is the SMILES notation for (3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene?
The canonical SMILES for (3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene is C=C/C(=C\C)C(CC)CCN=[N+]=[N-].
What is the InChIKey of (3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene?
The InChIKey is MFNMVLZMNZXSMX-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-9(5-2)10(6-3)7-8-12-13-11/h4-5,10H,1,6-8H2,2-3H3/b9-5+.
What are the key properties of (3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene?
(3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene has a molecular weight of 179.27 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene is sourced from PubChem (CID 58272050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).