N-[(3E)-4,5,5-trimethylhexa-1,3-dien-2-yl]ethanimine;tungsten(2+)

C11H17NW — CID 58259823

IUPACN-[(3E)-4,5,5-trimethylhexa-1,3-dien-2-yl]ethanimine;tungsten(2+)
SMILES[H]/[C-]=C(\C=C(/C)C(C)(C)C)/N=[C-]/C.[W+2]
InChIInChI=1S/C11H17N.W/c1-7-12-10(3)8-9(2)11(4,5)6;/h3,8H,1-2,4-6H3;/q-2;+2/b9-8+;
InChIKeyGAPIMZHMDLTOAE-HRNDJLQDSA-N
MW347.10 g/mol
LogP3.26
Rot. Bonds2

About N-[(3E)-4,5,5-trimethylhexa-1,3-dien-2-yl]ethanimine;tungsten(2+)

N-[(3E)-4,5,5-trimethylhexa-1,3-dien-2-yl]ethanimine;tungsten(2+) (PubChem CID 58259823) has the molecular formula C11H17NW and a molecular weight of 347.10 g/mol. Its IUPAC name is N-[(3E)-4,5,5-trimethylhexa-1,3-dien-2-yl]ethanimine;tungsten(2+).

Molecular Properties

Compound NameN-[(3E)-4,5,5-trimethylhexa-1,3-dien-2-yl]ethanimine;tungsten(2+)
PubChem CID58259823
Molecular FormulaC11H17NW
Molecular Weight347.10 g/mol
Exact Mass347.09
IUPAC NameN-[(3E)-4,5,5-trimethylhexa-1,3-dien-2-yl]ethanimine;tungsten(2+)
SMILES[H]/[C-]=C(\C=C(/C)C(C)(C)C)/N=[C-]/C.[W+2]
InChIInChI=1S/C11H17N.W/c1-7-12-10(3)8-9(2)11(4,5)6;/h3,8H,1-2,4-6H3;/q-2;+2/b9-8+;
InChIKeyGAPIMZHMDLTOAE-HRNDJLQDSA-N
XLogP3.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.10
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(3-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+)
CID 58259817
N-(4-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+)
CID 58259819
2-ethenyl-3,3-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]pyrrole
CID 87093577
(2E)-2-(2,2-dimethylpropylidene)-3,5-dimethylpyrrole
CID 89670930
N-[(3E,5E)-6-tert-butylocta-1,3,5,7-tetraen-3-yl]penta-1,4-dien-3-imine
CID 126487193
N-[(3Z)-3-tert-butylpenta-1,3-dien-2-yl]propan-2-imine
CID 132235320
(3E)-4-tert-butyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine
CID 139312770
N-[(Z)-5,5-dimethyl-4-methylidenehex-2-en-2-yl]-3,3-dimethylbutan-2-imine
CID 141872694
N-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]propan-2-imine
CID 142163018
N-[(3E,5E,7Z)-3-tert-butyl-5-ethenyl-7-methylnona-1,3,5,7-tetraen-4-yl]propan-2-imine
CID 156099534
N-[(1E)-2-tert-butyl-1-(2-methylcyclopenta-1,4-dien-1-yl)buta-1,3-dienyl]propan-2-imine
CID 156099567
N-[(3E,6Z)-3-tert-butyl-5-methylideneocta-1,3,6-trien-4-yl]propan-2-imine
CID 156099736

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-4,5,5-trimethylhexa-1,3-dien-2-yl]ethanimine;tungsten(2+)?
The IUPAC name of N-[(3E)-4,5,5-trimethylhexa-1,3-dien-2-yl]ethanimine;tungsten(2+) (CID 58259823) is N-[(3E)-4,5,5-trimethylhexa-1,3-dien-2-yl]ethanimine;tungsten(2+).
What is the SMILES notation for N-[(3E)-4,5,5-trimethylhexa-1,3-dien-2-yl]ethanimine;tungsten(2+)?
The canonical SMILES for N-[(3E)-4,5,5-trimethylhexa-1,3-dien-2-yl]ethanimine;tungsten(2+) is [H]/[C-]=C(\C=C(/C)C(C)(C)C)/N=[C-]/C.[W+2].
What is the InChIKey of N-[(3E)-4,5,5-trimethylhexa-1,3-dien-2-yl]ethanimine;tungsten(2+)?
The InChIKey is GAPIMZHMDLTOAE-HRNDJLQDSA-N. The full InChI is InChI=1S/C11H17N.W/c1-7-12-10(3)8-9(2)11(4,5)6;/h3,8H,1-2,4-6H3;/q-2;+2/b9-8+;.
What are the key properties of N-[(3E)-4,5,5-trimethylhexa-1,3-dien-2-yl]ethanimine;tungsten(2+)?
N-[(3E)-4,5,5-trimethylhexa-1,3-dien-2-yl]ethanimine;tungsten(2+) has a molecular weight of 347.10 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-4,5,5-trimethylhexa-1,3-dien-2-yl]ethanimine;tungsten(2+) is sourced from PubChem (CID 58259823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).