(2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine

C11H21N3 — CID 139338168

IUPAC(2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine
SMILESC=C(/C=C/CN(C)C)N1CCNCC1
InChIInChI=1S/C11H21N3/c1-11(5-4-8-13(2)3)14-9-6-12-7-10-14/h4-5,12H,1,6-10H2,2-3H3/b5-4+
InChIKeyJPJYSASYTOXRFT-SNAWJCMRSA-N
MW195.31 g/mol
LogP0.52
Rot. Bonds4

About (2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine

(2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine (PubChem CID 139338168) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine
PubChem CID139338168
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine
SMILESC=C(/C=C/CN(C)C)N1CCNCC1
InChIInChI=1S/C11H21N3/c1-11(5-4-8-13(2)3)14-9-6-12-7-10-14/h4-5,12H,1,6-10H2,2-3H3/b5-4+
InChIKeyJPJYSASYTOXRFT-SNAWJCMRSA-N
XLogP0.52
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine
CID 142593526
(1E)-3-piperazin-1-ylbuta-1,3-dien-1-amine
CID 163552940
1-hepta-1,3,5-trien-2-ylpiperazine
CID 90763085
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]piperazine
CID 142202942
2-piperazin-1-ylprop-2-enal
CID 173106377
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-[4-(dimethylamino)but-2-enoyl]piperazine-1-carboxylic acid
CID 134562618
2-(dimethylamino)ethyl piperazine-1-carboxylate
CID 154187930
1-[(E)-4-(dimethylamino)but-2-enoyl]piperidine-4-carbaldehyde
CID 166115709
(E)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)but-2-enamide
CID 61017890
lithium 1-[(E)-4-(dimethylamino)but-2-enoyl]piperidine-4-carboxylate
CID 142547771
(2E)-N,N-dimethyl-4-[methyl(propan-2-yl)phosphanyl]penta-2,4-dien-1-amine
CID 174293606

Frequently Asked Questions

What is the IUPAC name of (2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine?
The IUPAC name of (2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine (CID 139338168) is (2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine is C=C(/C=C/CN(C)C)N1CCNCC1.
What is the InChIKey of (2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine?
The InChIKey is JPJYSASYTOXRFT-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H21N3/c1-11(5-4-8-13(2)3)14-9-6-12-7-10-14/h4-5,12H,1,6-10H2,2-3H3/b5-4+.
What are the key properties of (2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine?
(2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine has a molecular weight of 195.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine is sourced from PubChem (CID 139338168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).