(1E)-N-ethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine

C11H21N3 — CID 156543262

IUPAC(1E)-N-ethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine
SMILESC=C/C=C(\NCC)N1CCN(C)CC1
InChIInChI=1S/C11H21N3/c1-4-6-11(12-5-2)14-9-7-13(3)8-10-14/h4,6,12H,1,5,7-10H2,2-3H3/b11-6+
InChIKeyWTLXNLXOSKRCOT-IZZDOVSWSA-N
MW195.31 g/mol
LogP0.87
Rot. Bonds4

About (1E)-N-ethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine

(1E)-N-ethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine (PubChem CID 156543262) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (1E)-N-ethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-N-ethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine
PubChem CID156543262
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(1E)-N-ethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine
SMILESC=C/C=C(\NCC)N1CCN(C)CC1
InChIInChI=1S/C11H21N3/c1-4-6-11(12-5-2)14-9-7-13(3)8-10-14/h4,6,12H,1,5,7-10H2,2-3H3/b11-6+
InChIKeyWTLXNLXOSKRCOT-IZZDOVSWSA-N
XLogP0.87
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 ≤ 50.87
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

Piperazinoazepine
CID 22179361
N-(1,2-dihydropyridin-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 19041019
1-(1,2-Dihydropyridin-2-yl)-4-methylpiperazine
CID 19041060
1-(1-Piperazin-1-ylprop-1-enyl)piperazine
CID 20155548
1-[1-(2H-pyridin-1-yl)ethyl]piperazine
CID 20432982
1-(1,2-Dihydropyridin-6-yl)-4-methylpiperazine
CID 22636472
1-(1-Methyl-2,3-dihydropyrrol-5-yl)piperazine
CID 23199978
2-(2H-pyridin-1-yl)piperazine
CID 56620287
1-(1-methyl-2H-pyridin-6-yl)piperazine
CID 56626623
1-(1,2-Dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium
CID 59030490
N,N-dimethyl-1-piperazin-1-ylprop-2-en-1-amine
CID 66955208
1-Piperazin-1-ylbut-2-en-1-amine
CID 67636199

Frequently Asked Questions

What is the IUPAC name of (1E)-N-ethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine?
The IUPAC name of (1E)-N-ethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine (CID 156543262) is (1E)-N-ethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-N-ethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine?
The canonical SMILES for (1E)-N-ethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine is C=C/C=C(\NCC)N1CCN(C)CC1.
What is the InChIKey of (1E)-N-ethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine?
The InChIKey is WTLXNLXOSKRCOT-IZZDOVSWSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-6-11(12-5-2)14-9-7-13(3)8-10-14/h4,6,12H,1,5,7-10H2,2-3H3/b11-6+.
What are the key properties of (1E)-N-ethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine?
(1E)-N-ethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine has a molecular weight of 195.31 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-ethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine is sourced from PubChem (CID 156543262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).