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

C11H21N3 — CID 134424054

IUPAC(1E)-N,N-dimethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine
SMILESC=C/C=C(\N(C)C)N1CCN(C)CC1
InChIInChI=1S/C11H21N3/c1-5-6-11(12(2)3)14-9-7-13(4)8-10-14/h5-6H,1,7-10H2,2-4H3/b11-6+
InChIKeySCHSFHCKWHPYOC-IZZDOVSWSA-N
MW195.31 g/mol
LogP0.82
Rot. Bonds3

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

(1E)-N,N-dimethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine (PubChem CID 134424054) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (1E)-N,N-dimethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-N,N-dimethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine
PubChem CID134424054
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(1E)-N,N-dimethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine
SMILESC=C/C=C(\N(C)C)N1CCN(C)CC1
InChIInChI=1S/C11H21N3/c1-5-6-11(12(2)3)14-9-7-13(4)8-10-14/h5-6H,1,7-10H2,2-4H3/b11-6+
InChIKeySCHSFHCKWHPYOC-IZZDOVSWSA-N
XLogP0.82
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.82
H-Bond Donors ≤ 50
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,N-dimethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine?
The IUPAC name of (1E)-N,N-dimethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine (CID 134424054) is (1E)-N,N-dimethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-N,N-dimethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine?
The canonical SMILES for (1E)-N,N-dimethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine is C=C/C=C(\N(C)C)N1CCN(C)CC1.
What is the InChIKey of (1E)-N,N-dimethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine?
The InChIKey is SCHSFHCKWHPYOC-IZZDOVSWSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-6-11(12(2)3)14-9-7-13(4)8-10-14/h5-6H,1,7-10H2,2-4H3/b11-6+.
What are the key properties of (1E)-N,N-dimethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine?
(1E)-N,N-dimethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine has a molecular weight of 195.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N,N-dimethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine is sourced from PubChem (CID 134424054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).