(2E)-2-[(Z)-but-2-en-2-yl]-N,N-dimethylpenta-2,4-dienimidamide

C11H18N2 — CID 142082710

IUPAC(2E)-2-[(Z)-but-2-en-2-yl]-N,N-dimethylpenta-2,4-dienimidamide
SMILES[H]/N=C(C(=C/C=C)/C(C)=C\C)\N(C)C
InChIInChI=1S/C11H18N2/c1-6-8-10(9(3)7-2)11(12)13(4)5/h6-8,12H,1H2,2-5H3/b9-7-,10-8+,12-11-
InChIKeyRQEUBYDGBCAUTI-LTDZARNHSA-N
MW178.28 g/mol
LogP2.60
Rot. Bonds3

About (2E)-2-[(Z)-but-2-en-2-yl]-N,N-dimethylpenta-2,4-dienimidamide

(2E)-2-[(Z)-but-2-en-2-yl]-N,N-dimethylpenta-2,4-dienimidamide (PubChem CID 142082710) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-en-2-yl]-N,N-dimethylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-en-2-yl]-N,N-dimethylpenta-2,4-dienimidamide
PubChem CID142082710
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(2E)-2-[(Z)-but-2-en-2-yl]-N,N-dimethylpenta-2,4-dienimidamide
SMILES[H]/N=C(C(=C/C=C)/C(C)=C\C)\N(C)C
InChIInChI=1S/C11H18N2/c1-6-8-10(9(3)7-2)11(12)13(4)5/h6-8,12H,1H2,2-5H3/b9-7-,10-8+,12-11-
InChIKeyRQEUBYDGBCAUTI-LTDZARNHSA-N
XLogP2.60
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.60
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

(2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide
CID 123185969
(3-Butan-2-yl-2-methylhepta-2,4-dienimidoyl)-trimethylazanium
CID 123329057
(2E,3Z)-2-ethylidene-3,5-dimethylhexa-3,5-dienimidamide
CID 123772432
N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide
CID 123919129
(2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine
CID 129041517
(3Z,5E)-6-methyl-2-methylidene-5-[(Z)-prop-1-enyl]octa-3,5,7-trienimidamide
CID 137436644
methyl-[(3Z)-2-methylidenehexa-3,5-dienimidoyl]azanide;rubidium(1+)
CID 141973035
ethane;N-ethyl-N,5-dimethylcyclohepta-1,4,6-triene-1-carboximidamide
CID 141997058
ethane;(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienimidamide
CID 142070553
(2E)-2-prop-1-en-2-ylpenta-2,4-dienimidamide
CID 142082779
(2E)-N,N-dimethyl-2-prop-1-en-2-ylpenta-2,4-dienimidamide
CID 142082807
N,N-dimethylcyclohepta-1,4,6-triene-1-carboximidamide
CID 142082835

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-but-2-en-2-yl]-N,N-dimethylpenta-2,4-dienimidamide?
The IUPAC name of (2E)-2-[(Z)-but-2-en-2-yl]-N,N-dimethylpenta-2,4-dienimidamide (CID 142082710) is (2E)-2-[(Z)-but-2-en-2-yl]-N,N-dimethylpenta-2,4-dienimidamide.
What is the SMILES notation for (2E)-2-[(Z)-but-2-en-2-yl]-N,N-dimethylpenta-2,4-dienimidamide?
The canonical SMILES for (2E)-2-[(Z)-but-2-en-2-yl]-N,N-dimethylpenta-2,4-dienimidamide is [H]/N=C(C(=C/C=C)/C(C)=C\C)\N(C)C.
What is the InChIKey of (2E)-2-[(Z)-but-2-en-2-yl]-N,N-dimethylpenta-2,4-dienimidamide?
The InChIKey is RQEUBYDGBCAUTI-LTDZARNHSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-8-10(9(3)7-2)11(12)13(4)5/h6-8,12H,1H2,2-5H3/b9-7-,10-8+,12-11-.
What are the key properties of (2E)-2-[(Z)-but-2-en-2-yl]-N,N-dimethylpenta-2,4-dienimidamide?
(2E)-2-[(Z)-but-2-en-2-yl]-N,N-dimethylpenta-2,4-dienimidamide has a molecular weight of 178.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-en-2-yl]-N,N-dimethylpenta-2,4-dienimidamide is sourced from PubChem (CID 142082710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).