N',3-dimethyl-N-(4-pyridin-2-ylbut-1-en-2-yl)but-2-enimidamide

C15H21N3 — CID 143316373

IUPACN',3-dimethyl-N-(4-pyridin-2-ylbut-1-en-2-yl)but-2-enimidamide
SMILESC=C(CCc1ccccn1)N/C(C=C(C)C)=N/C
InChIInChI=1S/C15H21N3/c1-12(2)11-15(16-4)18-13(3)8-9-14-7-5-6-10-17-14/h5-7,10-11H,3,8-9H2,1-2,4H3,(H,16,18)
InChIKeyKJYJGJKMOBJIAT-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.11
Rot. Bonds5

About N',3-dimethyl-N-(4-pyridin-2-ylbut-1-en-2-yl)but-2-enimidamide

N',3-dimethyl-N-(4-pyridin-2-ylbut-1-en-2-yl)but-2-enimidamide (PubChem CID 143316373) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N',3-dimethyl-N-(4-pyridin-2-ylbut-1-en-2-yl)but-2-enimidamide.

Molecular Properties

Compound NameN',3-dimethyl-N-(4-pyridin-2-ylbut-1-en-2-yl)but-2-enimidamide
PubChem CID143316373
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN',3-dimethyl-N-(4-pyridin-2-ylbut-1-en-2-yl)but-2-enimidamide
SMILESC=C(CCc1ccccn1)N/C(C=C(C)C)=N/C
InChIInChI=1S/C15H21N3/c1-12(2)11-15(16-4)18-13(3)8-9-14-7-5-6-10-17-14/h5-7,10-11H,3,8-9H2,1-2,4H3,(H,16,18)
InChIKeyKJYJGJKMOBJIAT-UHFFFAOYSA-N
XLogP3.11
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.11
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

(3E)-N-prop-1-en-2-yl-4-[6-(2-pyridin-2-ylethyl)-3-pyridinyl]penta-1,3-dien-2-amine
CID 166797996
N-[(3Z)-5-cyclohexyl-5-methyliminopenta-1,3-dien-2-yl]-3-pyridin-2-ylpropanamide
CID 144928520
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
2-(2-methylprop-2-enyl)pyridine
CID 12534227
N-[1-[2-methyl-1-[(piperidin-4-ylmethylamino)methyl]pyrrol-3-yl]ethenyl]-4-pyridin-2-ylbut-1-en-2-amine
CID 138511895
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea
CID 108910258
(1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine
CID 89098917
ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172838
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
N-ethyl-6-methyl-1-pyridin-2-ylhept-6-en-3-amine
CID 105182655
N-(pyridin-2-ylmethyl)but-1-en-2-amine
CID 129060114

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-(4-pyridin-2-ylbut-1-en-2-yl)but-2-enimidamide?
The IUPAC name of N',3-dimethyl-N-(4-pyridin-2-ylbut-1-en-2-yl)but-2-enimidamide (CID 143316373) is N',3-dimethyl-N-(4-pyridin-2-ylbut-1-en-2-yl)but-2-enimidamide.
What is the SMILES notation for N',3-dimethyl-N-(4-pyridin-2-ylbut-1-en-2-yl)but-2-enimidamide?
The canonical SMILES for N',3-dimethyl-N-(4-pyridin-2-ylbut-1-en-2-yl)but-2-enimidamide is C=C(CCc1ccccn1)N/C(C=C(C)C)=N/C.
What is the InChIKey of N',3-dimethyl-N-(4-pyridin-2-ylbut-1-en-2-yl)but-2-enimidamide?
The InChIKey is KJYJGJKMOBJIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12(2)11-15(16-4)18-13(3)8-9-14-7-5-6-10-17-14/h5-7,10-11H,3,8-9H2,1-2,4H3,(H,16,18).
What are the key properties of N',3-dimethyl-N-(4-pyridin-2-ylbut-1-en-2-yl)but-2-enimidamide?
N',3-dimethyl-N-(4-pyridin-2-ylbut-1-en-2-yl)but-2-enimidamide has a molecular weight of 243.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-(4-pyridin-2-ylbut-1-en-2-yl)but-2-enimidamide is sourced from PubChem (CID 143316373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).