N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide

C12H22N2 — CID 123919129

IUPACN,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide
SMILES[H]/N=C(/C(C=C(C)C)=CC)N(CC)CC
InChIInChI=1S/C12H22N2/c1-6-11(9-10(4)5)12(13)14(7-2)8-3/h6,9,13H,7-8H2,1-5H3/b11-6?,13-12-
InChIKeyMTDPMEFNLLLHJC-WBLHPXGWSA-N
MW194.32 g/mol
LogP3.22
Rot. Bonds4

About N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide

N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide (PubChem CID 123919129) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide.

Molecular Properties

Compound NameN,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide
PubChem CID123919129
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide
SMILES[H]/N=C(/C(C=C(C)C)=CC)N(CC)CC
InChIInChI=1S/C12H22N2/c1-6-11(9-10(4)5)12(13)14(7-2)8-3/h6,9,13H,7-8H2,1-5H3/b11-6?,13-12-
InChIKeyMTDPMEFNLLLHJC-WBLHPXGWSA-N
XLogP3.22
TPSA27.09 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 ≤ 53.22
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

(Z,2Z)-2-[[fluoro(methyl)phosphanyl]methylidene]-N-methyl-N-propylhex-3-enimidamide
CID 142083665
5-Methyl-1-(2-methylpropanimidoyl)pyridin-2-imine
CID 91128581
1-Ethanimidoyl-5-methylpyridin-2-imine
CID 129033488
(2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine
CID 129041517
(Z)-2,4,4-trimethyl-1-(4-methylpiperazin-1-yl)pent-2-en-1-imine
CID 131995956
3,6-diethyl-N-methyl-1,2-dihydroazepin-7-imine
CID 136646954
1-(4-Methyl-2,3,6,7-tetrahydroazepin-1-yl)prop-2-en-1-imine
CID 137507598
1-[(2E,4Z)-2,4-dimethylhexa-2,4-dienyl]-1-propylguanidine
CID 139324978
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
(2E)-2-[(Z)-but-2-en-2-yl]-N,N-dimethylpenta-2,4-dienimidamide
CID 142082710
(2E)-N,N-dimethyl-2-prop-1-en-2-ylpenta-2,4-dienimidamide
CID 142082807

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide?
The IUPAC name of N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide (CID 123919129) is N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide.
What is the SMILES notation for N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide?
The canonical SMILES for N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide is [H]/N=C(/C(C=C(C)C)=CC)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide?
The InChIKey is MTDPMEFNLLLHJC-WBLHPXGWSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-11(9-10(4)5)12(13)14(7-2)8-3/h6,9,13H,7-8H2,1-5H3/b11-6?,13-12-.
What are the key properties of N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide?
N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide has a molecular weight of 194.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide is sourced from PubChem (CID 123919129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).