N'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide

C14H23N3 — CID 123457912

IUPACN'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide
SMILESCC(=C/N=C(\C)N)/C(C)=C/C1=C(C)CNCC1
InChIInChI=1S/C14H23N3/c1-10(11(2)9-17-13(4)15)7-14-5-6-16-8-12(14)3/h7,9,16H,5-6,8H2,1-4H3,(H2,15,17)/b10-7+,11-9?
InChIKeyZYNNRZOZNOLUGX-NQMJRAMISA-N
MW233.36 g/mol
LogP2.52
Rot. Bonds3

About N'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide

N'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide (PubChem CID 123457912) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide
PubChem CID123457912
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide
SMILESCC(=C/N=C(\C)N)/C(C)=C/C1=C(C)CNCC1
InChIInChI=1S/C14H23N3/c1-10(11(2)9-17-13(4)15)7-14-5-6-16-8-12(14)3/h7,9,16H,5-6,8H2,1-4H3,(H2,15,17)/b10-7+,11-9?
InChIKeyZYNNRZOZNOLUGX-NQMJRAMISA-N
XLogP2.52
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(3E,5Z)-N-ethyl-N',3,6,7-tetramethylocta-3,5,7-trienimidamide
CID 89311716
5-N-ethyl-6-methylideneisoindole-1,5-diamine
CID 123212757
N'-(4-ethylhexa-2,4-dien-3-yl)-2-(propan-2-ylamino)ethanimidamide
CID 123391777
2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine
CID 138509396
5-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydropyrimidine
CID 143436370
ethane;(1E,3Z)-N-methyl-2-(2-methyl-1,4-dihydropyrimidin-4-yl)penta-1,3-dien-1-amine
CID 144183959
ethane;5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2,4-dimethyl-1,4-dihydropyrimidine
CID 145622493
N'-methyl-N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]iminoethanimidamide
CID 154981837
N,5,7-trimethyl-3,4-dihydro-1H-azocin-2-imine
CID 164000388
N'-butyl-4-methyl-N-methylidene-3-(2-methylpropylamino)penta-2,4-dienimidamide
CID 174042522
N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide
CID 174366216
5-But-2-en-2-yl-2-methyl-1,4-dihydropyrimidine
CID 59890253

Frequently Asked Questions

What is the IUPAC name of N'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide?
The IUPAC name of N'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide (CID 123457912) is N'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide?
The canonical SMILES for N'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide is CC(=C/N=C(\C)N)/C(C)=C/C1=C(C)CNCC1.
What is the InChIKey of N'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide?
The InChIKey is ZYNNRZOZNOLUGX-NQMJRAMISA-N. The full InChI is InChI=1S/C14H23N3/c1-10(11(2)9-17-13(4)15)7-14-5-6-16-8-12(14)3/h7,9,16H,5-6,8H2,1-4H3,(H2,15,17)/b10-7+,11-9?.
What are the key properties of N'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide?
N'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide has a molecular weight of 233.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 123457912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).