N-[(3E)-3-(1-ethenyl-5-methyl-2-pyridinylidene)but-1-en-2-yl]-N',2-dimethylpropanimidamide

C17H25N3 — CID 164594772

IUPACN-[(3E)-3-(1-ethenyl-5-methyl-2-pyridinylidene)but-1-en-2-yl]-N',2-dimethylpropanimidamide
SMILESC=CN1C=C(C)C=C/C1=C(/C)C(=C)N/C(=N/C)C(C)C
InChIInChI=1S/C17H25N3/c1-8-20-11-13(4)9-10-16(20)14(5)15(6)19-17(18-7)12(2)3/h8-12H,1,6H2,2-5,7H3,(H,18,19)/b16-14+
InChIKeyWMYYZRMPDJZLGG-JQIJEIRASA-N
MW271.41 g/mol
LogP3.97
Rot. Bonds4

About N-[(3E)-3-(1-ethenyl-5-methyl-2-pyridinylidene)but-1-en-2-yl]-N',2-dimethylpropanimidamide

N-[(3E)-3-(1-ethenyl-5-methyl-2-pyridinylidene)but-1-en-2-yl]-N',2-dimethylpropanimidamide (PubChem CID 164594772) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(3E)-3-(1-ethenyl-5-methyl-2-pyridinylidene)but-1-en-2-yl]-N',2-dimethylpropanimidamide.

Molecular Properties

Compound NameN-[(3E)-3-(1-ethenyl-5-methyl-2-pyridinylidene)but-1-en-2-yl]-N',2-dimethylpropanimidamide
PubChem CID164594772
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[(3E)-3-(1-ethenyl-5-methyl-2-pyridinylidene)but-1-en-2-yl]-N',2-dimethylpropanimidamide
SMILESC=CN1C=C(C)C=C/C1=C(/C)C(=C)N/C(=N/C)C(C)C
InChIInChI=1S/C17H25N3/c1-8-20-11-13(4)9-10-16(20)14(5)15(6)19-17(18-7)12(2)3/h8-12H,1,6H2,2-5,7H3,(H,18,19)/b16-14+
InChIKeyWMYYZRMPDJZLGG-JQIJEIRASA-N
XLogP3.97
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-methyl-1,4-dihydropyrimidine
CID 89603847
1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine
CID 123161013
N'-methyl-N-[2-(methylideneamino)-2-(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)ethenyl]butanimidamide
CID 123663052
(2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide
CID 129169649
N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide
CID 130179060
N-methyl-1-(5-methyl-2-methylidene-1-pyridinyl)propan-1-imine
CID 130374044
(3Z)-3-ethylidene-N-(3-methylbut-1-en-2-yl)pyrrol-2-amine
CID 132170865
N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide
CID 134214393
6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine
CID 134286809
3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine
CID 134387420
3,6-bis[(1Z)-buta-1,3-dienyl]-N,1,4,5-tetrakis(ethenyl)pyridin-2-imine
CID 134420160
3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine
CID 134557797

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-(1-ethenyl-5-methyl-2-pyridinylidene)but-1-en-2-yl]-N',2-dimethylpropanimidamide?
The IUPAC name of N-[(3E)-3-(1-ethenyl-5-methyl-2-pyridinylidene)but-1-en-2-yl]-N',2-dimethylpropanimidamide (CID 164594772) is N-[(3E)-3-(1-ethenyl-5-methyl-2-pyridinylidene)but-1-en-2-yl]-N',2-dimethylpropanimidamide.
What is the SMILES notation for N-[(3E)-3-(1-ethenyl-5-methyl-2-pyridinylidene)but-1-en-2-yl]-N',2-dimethylpropanimidamide?
The canonical SMILES for N-[(3E)-3-(1-ethenyl-5-methyl-2-pyridinylidene)but-1-en-2-yl]-N',2-dimethylpropanimidamide is C=CN1C=C(C)C=C/C1=C(/C)C(=C)N/C(=N/C)C(C)C.
What is the InChIKey of N-[(3E)-3-(1-ethenyl-5-methyl-2-pyridinylidene)but-1-en-2-yl]-N',2-dimethylpropanimidamide?
The InChIKey is WMYYZRMPDJZLGG-JQIJEIRASA-N. The full InChI is InChI=1S/C17H25N3/c1-8-20-11-13(4)9-10-16(20)14(5)15(6)19-17(18-7)12(2)3/h8-12H,1,6H2,2-5,7H3,(H,18,19)/b16-14+.
What are the key properties of N-[(3E)-3-(1-ethenyl-5-methyl-2-pyridinylidene)but-1-en-2-yl]-N',2-dimethylpropanimidamide?
N-[(3E)-3-(1-ethenyl-5-methyl-2-pyridinylidene)but-1-en-2-yl]-N',2-dimethylpropanimidamide has a molecular weight of 271.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-(1-ethenyl-5-methyl-2-pyridinylidene)but-1-en-2-yl]-N',2-dimethylpropanimidamide is sourced from PubChem (CID 164594772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).