(2E)-1-(2-methylpiperidin-1-yl)penta-2,4-dien-1-imine

C11H18N2 — CID 167048114

IUPAC(2E)-1-(2-methylpiperidin-1-yl)penta-2,4-dien-1-imine
SMILES[H]/N=C(\C=C\C=C)N1CCCCC1C
InChIInChI=1S/C11H18N2/c1-3-4-8-11(12)13-9-6-5-7-10(13)2/h3-4,8,10,12H,1,5-7,9H2,2H3/b8-4+,12-11+
InChIKeyOZWLVZFIEHAORQ-KKCVOOCDSA-N
MW178.28 g/mol
LogP2.58
Rot. Bonds2

About (2E)-1-(2-methylpiperidin-1-yl)penta-2,4-dien-1-imine

(2E)-1-(2-methylpiperidin-1-yl)penta-2,4-dien-1-imine (PubChem CID 167048114) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (2E)-1-(2-methylpiperidin-1-yl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-1-(2-methylpiperidin-1-yl)penta-2,4-dien-1-imine
PubChem CID167048114
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(2E)-1-(2-methylpiperidin-1-yl)penta-2,4-dien-1-imine
SMILES[H]/N=C(\C=C\C=C)N1CCCCC1C
InChIInChI=1S/C11H18N2/c1-3-4-8-11(12)13-9-6-5-7-10(13)2/h3-4,8,10,12H,1,5-7,9H2,2H3/b8-4+,12-11+
InChIKeyOZWLVZFIEHAORQ-KKCVOOCDSA-N
XLogP2.58
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.58
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

5-fluoro-1-[(2S)-2-methylpiperidine-1-carboximidoyl]pyridin-2-imine
CID 89624956
5-Fluoro-1-(1-methylpiperidine-2-carboximidoyl)pyridin-2-imine
CID 123972496
5-fluoro-1-[(2S)-1-propan-2-ylpiperidine-2-carboximidoyl]pyridin-2-imine
CID 129294930
5-fluoro-1-[(2S)-1-methylpiperidine-2-carboximidoyl]pyridin-2-imine
CID 145588214
1-(1-Methylpiperidin-4-yl)pyridin-2-imine
CID 89135049
1-[(Z)-but-2-enimidoyl]-N,N-dimethylpiperidin-4-amine
CID 144863043
5-fluoro-1-methanimidoylpyridin-2-imine;(2R)-2-methyl-1-propan-2-ylpiperidine
CID 145338909
(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-amine
CID 167047772
1-[(Z)-but-2-enimidoyl]piperidin-3-amine
CID 174360114
(Z)-N-ethyl-N-[1-[(2E,4Z)-5-(methylideneamino)hepta-2,4,6-trien-3-yl]piperidin-4-yl]but-2-enimidamide
CID 178805558
1-Hexylpyridin-2-imine
CID 12924178
1-Pentylpyridin-2-imine
CID 131858345

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(2-methylpiperidin-1-yl)penta-2,4-dien-1-imine?
The IUPAC name of (2E)-1-(2-methylpiperidin-1-yl)penta-2,4-dien-1-imine (CID 167048114) is (2E)-1-(2-methylpiperidin-1-yl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-1-(2-methylpiperidin-1-yl)penta-2,4-dien-1-imine?
The canonical SMILES for (2E)-1-(2-methylpiperidin-1-yl)penta-2,4-dien-1-imine is [H]/N=C(\C=C\C=C)N1CCCCC1C.
What is the InChIKey of (2E)-1-(2-methylpiperidin-1-yl)penta-2,4-dien-1-imine?
The InChIKey is OZWLVZFIEHAORQ-KKCVOOCDSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-4-8-11(12)13-9-6-5-7-10(13)2/h3-4,8,10,12H,1,5-7,9H2,2H3/b8-4+,12-11+.
What are the key properties of (2E)-1-(2-methylpiperidin-1-yl)penta-2,4-dien-1-imine?
(2E)-1-(2-methylpiperidin-1-yl)penta-2,4-dien-1-imine has a molecular weight of 178.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(2-methylpiperidin-1-yl)penta-2,4-dien-1-imine is sourced from PubChem (CID 167048114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).