(2Z,4Z)-5-(methylideneamino)-4-(1-methylpiperidin-4-yl)penta-2,4-dien-1-amine

C12H21N3 — CID 167039292

IUPAC(2Z,4Z)-5-(methylideneamino)-4-(1-methylpiperidin-4-yl)penta-2,4-dien-1-amine
SMILESC=N/C=C(\C=C/CN)C1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-14-10-12(4-3-7-13)11-5-8-15(2)9-6-11/h3-4,10-11H,1,5-9,13H2,2H3/b4-3-,12-10+
InChIKeyVYRGFCRCOIWCNN-BJQBXBTNSA-N
MW207.32 g/mol
LogP1.43
Rot. Bonds4

About (2Z,4Z)-5-(methylideneamino)-4-(1-methylpiperidin-4-yl)penta-2,4-dien-1-amine

(2Z,4Z)-5-(methylideneamino)-4-(1-methylpiperidin-4-yl)penta-2,4-dien-1-amine (PubChem CID 167039292) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (2Z,4Z)-5-(methylideneamino)-4-(1-methylpiperidin-4-yl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-5-(methylideneamino)-4-(1-methylpiperidin-4-yl)penta-2,4-dien-1-amine
PubChem CID167039292
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(2Z,4Z)-5-(methylideneamino)-4-(1-methylpiperidin-4-yl)penta-2,4-dien-1-amine
SMILESC=N/C=C(\C=C/CN)C1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-14-10-12(4-3-7-13)11-5-8-15(2)9-6-11/h3-4,10-11H,1,5-9,13H2,2H3/b4-3-,12-10+
InChIKeyVYRGFCRCOIWCNN-BJQBXBTNSA-N
XLogP1.43
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z)-5-(methylideneamino)-4-(1-methylpiperidin-4-yl)penta-2,4-dien-1-amine 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

1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine
CID 142926355
3-(1-methylpiperidin-4-yl)but-3-en-1-amine
CID 117268269
2-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine
CID 117266264
ethane;(1-methylpiperidin-4-yl)methanamine
CID 91043349
N-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine
CID 142494932
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine
CID 89363927
(1,5-dimethylazepan-4-yl)methanamine
CID 84763759
acetylene;(2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine
CID 142969803
N-(2-aminoethyl)-1-methylpiperidine-4-carboxamide
CID 53215741
(E)-4-amino-1-(3-methylpyrrolidin-1-yl)but-2-en-1-one
CID 130533208
4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine
CID 142209262
(3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 90427686

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-(methylideneamino)-4-(1-methylpiperidin-4-yl)penta-2,4-dien-1-amine?
The IUPAC name of (2Z,4Z)-5-(methylideneamino)-4-(1-methylpiperidin-4-yl)penta-2,4-dien-1-amine (CID 167039292) is (2Z,4Z)-5-(methylideneamino)-4-(1-methylpiperidin-4-yl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4Z)-5-(methylideneamino)-4-(1-methylpiperidin-4-yl)penta-2,4-dien-1-amine?
The canonical SMILES for (2Z,4Z)-5-(methylideneamino)-4-(1-methylpiperidin-4-yl)penta-2,4-dien-1-amine is C=N/C=C(\C=C/CN)C1CCN(C)CC1.
What is the InChIKey of (2Z,4Z)-5-(methylideneamino)-4-(1-methylpiperidin-4-yl)penta-2,4-dien-1-amine?
The InChIKey is VYRGFCRCOIWCNN-BJQBXBTNSA-N. The full InChI is InChI=1S/C12H21N3/c1-14-10-12(4-3-7-13)11-5-8-15(2)9-6-11/h3-4,10-11H,1,5-9,13H2,2H3/b4-3-,12-10+.
What are the key properties of (2Z,4Z)-5-(methylideneamino)-4-(1-methylpiperidin-4-yl)penta-2,4-dien-1-amine?
(2Z,4Z)-5-(methylideneamino)-4-(1-methylpiperidin-4-yl)penta-2,4-dien-1-amine has a molecular weight of 207.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-(methylideneamino)-4-(1-methylpiperidin-4-yl)penta-2,4-dien-1-amine is sourced from PubChem (CID 167039292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).