N-[(3E)-3-(1-ethenyl-5-methylpiperidin-2-ylidene)but-1-en-2-yl]-N'-methylethanimidamide

C15H25N3 — CID 164594284

IUPACN-[(3E)-3-(1-ethenyl-5-methylpiperidin-2-ylidene)but-1-en-2-yl]-N'-methylethanimidamide
SMILESC=CN1CC(C)CC/C1=C(/C)C(=C)N/C(C)=N/C
InChIInChI=1S/C15H25N3/c1-7-18-10-11(2)8-9-15(18)12(3)13(4)17-14(5)16-6/h7,11H,1,4,8-10H2,2-3,5-6H3,(H,16,17)/b15-12+
InChIKeyRGQMWDDOABALPL-NTCAYCPXSA-N
MW247.39 g/mol
LogP3.29
Rot. Bonds3

About N-[(3E)-3-(1-ethenyl-5-methylpiperidin-2-ylidene)but-1-en-2-yl]-N'-methylethanimidamide

N-[(3E)-3-(1-ethenyl-5-methylpiperidin-2-ylidene)but-1-en-2-yl]-N'-methylethanimidamide (PubChem CID 164594284) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[(3E)-3-(1-ethenyl-5-methylpiperidin-2-ylidene)but-1-en-2-yl]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(3E)-3-(1-ethenyl-5-methylpiperidin-2-ylidene)but-1-en-2-yl]-N'-methylethanimidamide
PubChem CID164594284
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[(3E)-3-(1-ethenyl-5-methylpiperidin-2-ylidene)but-1-en-2-yl]-N'-methylethanimidamide
SMILESC=CN1CC(C)CC/C1=C(/C)C(=C)N/C(C)=N/C
InChIInChI=1S/C15H25N3/c1-7-18-10-11(2)8-9-15(18)12(3)13(4)17-14(5)16-6/h7,11H,1,4,8-10H2,2-3,5-6H3,(H,16,17)/b15-12+
InChIKeyRGQMWDDOABALPL-NTCAYCPXSA-N
XLogP3.29
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.29
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

N,N-diethyl-5-(piperidin-4-yl)-3H-azepin-2-amine
CID 172418747
2-(2-Methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethanamine
CID 67554552
1-But-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine
CID 123286517
5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine
CID 142187236
(3Z)-3-[(E)-2-cyclopenta-1,4-dien-1-ylbut-2-enylidene]-N-[1-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3H-azepin-5-yl]ethenyl]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen
CID 142584457
(4aE,6Z,8Z,10E)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine
CID 164568249
N'-[(3Z)-4-ethyl-5-piperidin-1-ylhexa-3,5-dien-3-yl]ethanimidamide
CID 167288688
(6Z,8Z)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine
CID 174020640
(3Z)-3-(2-cyclopenta-1,4-dien-1-ylbut-2-enylidene)-N-[1-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3H-azepin-5-yl]ethenyl]-4-methylidenecyclohexa-1,5-dien-1-amine
CID 142584458

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-(1-ethenyl-5-methylpiperidin-2-ylidene)but-1-en-2-yl]-N'-methylethanimidamide?
The IUPAC name of N-[(3E)-3-(1-ethenyl-5-methylpiperidin-2-ylidene)but-1-en-2-yl]-N'-methylethanimidamide (CID 164594284) is N-[(3E)-3-(1-ethenyl-5-methylpiperidin-2-ylidene)but-1-en-2-yl]-N'-methylethanimidamide.
What is the SMILES notation for N-[(3E)-3-(1-ethenyl-5-methylpiperidin-2-ylidene)but-1-en-2-yl]-N'-methylethanimidamide?
The canonical SMILES for N-[(3E)-3-(1-ethenyl-5-methylpiperidin-2-ylidene)but-1-en-2-yl]-N'-methylethanimidamide is C=CN1CC(C)CC/C1=C(/C)C(=C)N/C(C)=N/C.
What is the InChIKey of N-[(3E)-3-(1-ethenyl-5-methylpiperidin-2-ylidene)but-1-en-2-yl]-N'-methylethanimidamide?
The InChIKey is RGQMWDDOABALPL-NTCAYCPXSA-N. The full InChI is InChI=1S/C15H25N3/c1-7-18-10-11(2)8-9-15(18)12(3)13(4)17-14(5)16-6/h7,11H,1,4,8-10H2,2-3,5-6H3,(H,16,17)/b15-12+.
What are the key properties of N-[(3E)-3-(1-ethenyl-5-methylpiperidin-2-ylidene)but-1-en-2-yl]-N'-methylethanimidamide?
N-[(3E)-3-(1-ethenyl-5-methylpiperidin-2-ylidene)but-1-en-2-yl]-N'-methylethanimidamide has a molecular weight of 247.39 g/mol, XLogP of 3.29, 3 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-methylpiperidin-2-ylidene)but-1-en-2-yl]-N'-methylethanimidamide is sourced from PubChem (CID 164594284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).