(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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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).