N-[(2Z)-hepta-2,5-dien-2-yl]-N'-piperidin-3-ylpropanimidamide

C15H27N3 — CID 91561321

IUPACN-[(2Z)-hepta-2,5-dien-2-yl]-N'-piperidin-3-ylpropanimidamide
SMILESCC=CC/C=C(/C)N/C(CC)=N/C1CCCNC1
InChIInChI=1S/C15H27N3/c1-4-6-7-9-13(3)17-15(5-2)18-14-10-8-11-16-12-14/h4,6,9,14,16H,5,7-8,10-12H2,1-3H3,(H,17,18)/b6-4?,13-9-
InChIKeyZPEBSMHYPGMXQC-PPUCDNHWSA-N
MW249.40 g/mol
LogP3.01
Rot. Bonds5

About N-[(2Z)-hepta-2,5-dien-2-yl]-N'-piperidin-3-ylpropanimidamide

N-[(2Z)-hepta-2,5-dien-2-yl]-N'-piperidin-3-ylpropanimidamide (PubChem CID 91561321) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(2Z)-hepta-2,5-dien-2-yl]-N'-piperidin-3-ylpropanimidamide.

Molecular Properties

Compound NameN-[(2Z)-hepta-2,5-dien-2-yl]-N'-piperidin-3-ylpropanimidamide
PubChem CID91561321
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(2Z)-hepta-2,5-dien-2-yl]-N'-piperidin-3-ylpropanimidamide
SMILESCC=CC/C=C(/C)N/C(CC)=N/C1CCCNC1
InChIInChI=1S/C15H27N3/c1-4-6-7-9-13(3)17-15(5-2)18-14-10-8-11-16-12-14/h4,6,9,14,16H,5,7-8,10-12H2,1-3H3,(H,17,18)/b6-4?,13-9-
InChIKeyZPEBSMHYPGMXQC-PPUCDNHWSA-N
XLogP3.01
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.01
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-piperidin-3-ylpentan-3-imine
CID 123827523
2-piperidin-3-ylimino-2-pyrrolidin-1-ylethanol
CID 91361193
N-but-2-enyl-N-ethylpiperidin-3-amine
CID 77002860
3-(but-2-enoxymethyl)piperidine
CID 76940393
3-[(E)-2-methylbut-1-enyl]piperidine
CID 126845848
(3R)-N-pentanoylpiperidine-3-carboxamide
CID 174696640
ethane;(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine
CID 143994230
N-piperidin-3-ylmethanimine
CID 58804640
ethyl 1-[C-(hydroxymethyl)-N-piperidin-3-ylcarbonimidoyl]pyrrolidine-2-carboxylate
CID 91454243
2-butyl-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;ethane;(2Z,4Z,5Z,7E)-4-ethylidene-5-methyldeca-2,5,7-triene
CID 145324173
3-[4-[N'-[(3S)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid
CID 175725939
N-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide
CID 138527588

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-hepta-2,5-dien-2-yl]-N'-piperidin-3-ylpropanimidamide?
The IUPAC name of N-[(2Z)-hepta-2,5-dien-2-yl]-N'-piperidin-3-ylpropanimidamide (CID 91561321) is N-[(2Z)-hepta-2,5-dien-2-yl]-N'-piperidin-3-ylpropanimidamide.
What is the SMILES notation for N-[(2Z)-hepta-2,5-dien-2-yl]-N'-piperidin-3-ylpropanimidamide?
The canonical SMILES for N-[(2Z)-hepta-2,5-dien-2-yl]-N'-piperidin-3-ylpropanimidamide is CC=CC/C=C(/C)N/C(CC)=N/C1CCCNC1.
What is the InChIKey of N-[(2Z)-hepta-2,5-dien-2-yl]-N'-piperidin-3-ylpropanimidamide?
The InChIKey is ZPEBSMHYPGMXQC-PPUCDNHWSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-6-7-9-13(3)17-15(5-2)18-14-10-8-11-16-12-14/h4,6,9,14,16H,5,7-8,10-12H2,1-3H3,(H,17,18)/b6-4?,13-9-.
What are the key properties of N-[(2Z)-hepta-2,5-dien-2-yl]-N'-piperidin-3-ylpropanimidamide?
N-[(2Z)-hepta-2,5-dien-2-yl]-N'-piperidin-3-ylpropanimidamide has a molecular weight of 249.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-hepta-2,5-dien-2-yl]-N'-piperidin-3-ylpropanimidamide is sourced from PubChem (CID 91561321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).