(2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide;ethane;ethene;2-methylbuta-1,3-diene

C25H49N3 — CID 144518191

IUPAC(2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide;ethane;ethene;2-methylbuta-1,3-diene
SMILESC=C.C=C.C=C/C=C(C)\C(=N/C)NC1CCCNC1.C=CC(=C)C.CC.CC
InChIInChI=1S/C12H21N3.C5H8.2C2H6.2C2H4/c1-4-6-10(2)12(13-3)15-11-7-5-8-14-9-11;1-4-5(2)3;4*1-2/h4,6,11,14H,1,5,7-9H2,2-3H3,(H,13,15);4H,1-2H2,3H3;2*1-2H3;2*1-2H2/b10-6-;;;;;
InChIKeyYASDTFRTDFTIJK-UCPHPRKSSA-N
MW391.69 g/mol
LogP6.89
Rot. Bonds4

About (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide;ethane;ethene;2-methylbuta-1,3-diene

(2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide;ethane;ethene;2-methylbuta-1,3-diene (PubChem CID 144518191) has the molecular formula C25H49N3 and a molecular weight of 391.69 g/mol. Its IUPAC name is (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide;ethane;ethene;2-methylbuta-1,3-diene.

Molecular Properties

Compound Name(2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide;ethane;ethene;2-methylbuta-1,3-diene
PubChem CID144518191
Molecular FormulaC25H49N3
Molecular Weight391.69 g/mol
Exact Mass391.39
IUPAC Name(2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide;ethane;ethene;2-methylbuta-1,3-diene
SMILESC=C.C=C.C=C/C=C(C)\C(=N/C)NC1CCCNC1.C=CC(=C)C.CC.CC
InChIInChI=1S/C12H21N3.C5H8.2C2H6.2C2H4/c1-4-6-10(2)12(13-3)15-11-7-5-8-14-9-11;1-4-5(2)3;4*1-2/h4,6,11,14H,1,5,7-9H2,2-3H3,(H,13,15);4H,1-2H2,3H3;2*1-2H3;2*1-2H2/b10-6-;;;;;
InChIKeyYASDTFRTDFTIJK-UCPHPRKSSA-N
XLogP6.89
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.69
LogP ≤ 56.89
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide;ethane;ethene;2-methylbuta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-N-methyl-3-prop-2-enylidenepiperidin-2-imine;propane
CID 143201854
N,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane
CID 143396961
(3Z)-N-methyl-3-[(2E)-penta-2,4-dienylidene]piperidin-2-imine
CID 144497135
(2E)-2-buta-1,3-dien-2-yl-N-methyl-1-piperazin-1-ylpenta-2,4-dien-1-imine
CID 145101583
ethane;(2Z,4Z)-3-(N'-piperidin-3-ylcarbamimidoyl)-2-[(Z)-prop-1-enyl]hexa-2,4-dienimidoyl chloride
CID 171830915
N,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine
CID 143396962
(2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide
CID 144518192

Frequently Asked Questions

What is the IUPAC name of (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide;ethane;ethene;2-methylbuta-1,3-diene?
The IUPAC name of (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide;ethane;ethene;2-methylbuta-1,3-diene (CID 144518191) is (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide;ethane;ethene;2-methylbuta-1,3-diene.
What is the SMILES notation for (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide;ethane;ethene;2-methylbuta-1,3-diene?
The canonical SMILES for (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide;ethane;ethene;2-methylbuta-1,3-diene is C=C.C=C.C=C/C=C(C)\C(=N/C)NC1CCCNC1.C=CC(=C)C.CC.CC.
What is the InChIKey of (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide;ethane;ethene;2-methylbuta-1,3-diene?
The InChIKey is YASDTFRTDFTIJK-UCPHPRKSSA-N. The full InChI is InChI=1S/C12H21N3.C5H8.2C2H6.2C2H4/c1-4-6-10(2)12(13-3)15-11-7-5-8-14-9-11;1-4-5(2)3;4*1-2/h4,6,11,14H,1,5,7-9H2,2-3H3,(H,13,15);4H,1-2H2,3H3;2*1-2H3;2*1-2H2/b10-6-;;;;;.
What are the key properties of (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide;ethane;ethene;2-methylbuta-1,3-diene?
(2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide;ethane;ethene;2-methylbuta-1,3-diene has a molecular weight of 391.69 g/mol, XLogP of 6.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide;ethane;ethene;2-methylbuta-1,3-diene is sourced from PubChem (CID 144518191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).