(E)-N',3,4-trimethyl-2-[(Z)-prop-1-enyl]hex-2-enimidamide

C12H22N2 — CID 145143808

IUPAC(E)-N',3,4-trimethyl-2-[(Z)-prop-1-enyl]hex-2-enimidamide
SMILESC/C=C\C(\C(N)=N\C)=C(\C)C(C)CC
InChIInChI=1S/C12H22N2/c1-6-8-11(12(13)14-5)10(4)9(3)7-2/h6,8-9H,7H2,1-5H3,(H2,13,14)/b8-6-,11-10+
InChIKeyVFJOKMMLPMZBAU-FEVLKHHISA-N
MW194.32 g/mol
LogP2.91
Rot. Bonds4

About (E)-N',3,4-trimethyl-2-[(Z)-prop-1-enyl]hex-2-enimidamide

(E)-N',3,4-trimethyl-2-[(Z)-prop-1-enyl]hex-2-enimidamide (PubChem CID 145143808) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (E)-N',3,4-trimethyl-2-[(Z)-prop-1-enyl]hex-2-enimidamide.

Molecular Properties

Compound Name(E)-N',3,4-trimethyl-2-[(Z)-prop-1-enyl]hex-2-enimidamide
PubChem CID145143808
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(E)-N',3,4-trimethyl-2-[(Z)-prop-1-enyl]hex-2-enimidamide
SMILESC/C=C\C(\C(N)=N\C)=C(\C)C(C)CC
InChIInChI=1S/C12H22N2/c1-6-8-11(12(13)14-5)10(4)9(3)7-2/h6,8-9H,7H2,1-5H3,(H2,13,14)/b8-6-,11-10+
InChIKeyVFJOKMMLPMZBAU-FEVLKHHISA-N
XLogP2.91
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide
CID 170192926
(2Z,3Z,5E)-2-(2-fluoropropylidene)-N'-methylhepta-3,5-dienimidamide
CID 173891222
(E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide
CID 89383546
(3-Butan-2-yl-2-methylhepta-2,4-dienimidoyl)-trimethylazanium
CID 123329057
(2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide
CID 123348002
(Z,2E)-N'-carbamimidoyl-2-ethylidene-5-methylidenehept-3-enimidamide
CID 123811047
N'-methyl-2-methylidenehex-3-enimidamide
CID 123957031
(Z)-5-methyl-N'-[(E)-pent-1-enyl]-2-propan-2-ylidenehex-3-enimidamide
CID 126593027
(Z,2Z)-N'-ethenyl-5,6-dimethyl-2-[(E)-pent-3-en-2-ylidene]hept-3-enimidamide
CID 126593792
2,3,4-trimethyl-N'-[(E)-pent-1-enyl]cyclohexa-1,5-diene-1-carboximidamide
CID 126593883
(2E)-N-[(3Z)-1-amino-2-methylidenehexa-3,5-dienylidene]-N'-(cyclohepta-2,4,6-trien-1-ylmethyl)-2-methylocta-2,7-dienimidamide
CID 129142229
(3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide
CID 130178588

Frequently Asked Questions

What is the IUPAC name of (E)-N',3,4-trimethyl-2-[(Z)-prop-1-enyl]hex-2-enimidamide?
The IUPAC name of (E)-N',3,4-trimethyl-2-[(Z)-prop-1-enyl]hex-2-enimidamide (CID 145143808) is (E)-N',3,4-trimethyl-2-[(Z)-prop-1-enyl]hex-2-enimidamide.
What is the SMILES notation for (E)-N',3,4-trimethyl-2-[(Z)-prop-1-enyl]hex-2-enimidamide?
The canonical SMILES for (E)-N',3,4-trimethyl-2-[(Z)-prop-1-enyl]hex-2-enimidamide is C/C=C\C(\C(N)=N\C)=C(\C)C(C)CC.
What is the InChIKey of (E)-N',3,4-trimethyl-2-[(Z)-prop-1-enyl]hex-2-enimidamide?
The InChIKey is VFJOKMMLPMZBAU-FEVLKHHISA-N. The full InChI is InChI=1S/C12H22N2/c1-6-8-11(12(13)14-5)10(4)9(3)7-2/h6,8-9H,7H2,1-5H3,(H2,13,14)/b8-6-,11-10+.
What are the key properties of (E)-N',3,4-trimethyl-2-[(Z)-prop-1-enyl]hex-2-enimidamide?
(E)-N',3,4-trimethyl-2-[(Z)-prop-1-enyl]hex-2-enimidamide has a molecular weight of 194.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N',3,4-trimethyl-2-[(Z)-prop-1-enyl]hex-2-enimidamide is sourced from PubChem (CID 145143808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).