(1Z,4Z)-2-buta-1,3-dien-2-yl-N-methyl-3-methylidene-4-(propan-2-ylideneamino)hexa-1,4-dien-1-amine;ethane

C19H34N2 — CID 156743877

IUPAC(1Z,4Z)-2-buta-1,3-dien-2-yl-N-methyl-3-methylidene-4-(propan-2-ylideneamino)hexa-1,4-dien-1-amine;ethane
SMILESC=CC(=C)C(=CNC)C(=C)/C(=C/C)N=C(C)C.CC.CC
InChIInChI=1S/C15H22N2.2C2H6/c1-8-12(5)14(10-16-7)13(6)15(9-2)17-11(3)4;2*1-2/h8-10,16H,1,5-6H2,2-4,7H3;2*1-2H3/b14-10-,15-9-;;
InChIKeyLAUPJXLKNKMGLN-NJGVGQBKSA-N
MW290.50 g/mol
LogP5.83
Rot. Bonds6

About (1Z,4Z)-2-buta-1,3-dien-2-yl-N-methyl-3-methylidene-4-(propan-2-ylideneamino)hexa-1,4-dien-1-amine;ethane

(1Z,4Z)-2-buta-1,3-dien-2-yl-N-methyl-3-methylidene-4-(propan-2-ylideneamino)hexa-1,4-dien-1-amine;ethane (PubChem CID 156743877) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is (1Z,4Z)-2-buta-1,3-dien-2-yl-N-methyl-3-methylidene-4-(propan-2-ylideneamino)hexa-1,4-dien-1-amine;ethane.

Molecular Properties

Compound Name(1Z,4Z)-2-buta-1,3-dien-2-yl-N-methyl-3-methylidene-4-(propan-2-ylideneamino)hexa-1,4-dien-1-amine;ethane
PubChem CID156743877
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name(1Z,4Z)-2-buta-1,3-dien-2-yl-N-methyl-3-methylidene-4-(propan-2-ylideneamino)hexa-1,4-dien-1-amine;ethane
SMILESC=CC(=C)C(=CNC)C(=C)/C(=C/C)N=C(C)C.CC.CC
InChIInChI=1S/C15H22N2.2C2H6/c1-8-12(5)14(10-16-7)13(6)15(9-2)17-11(3)4;2*1-2/h8-10,16H,1,5-6H2,2-4,7H3;2*1-2H3/b14-10-,15-9-;;
InChIKeyLAUPJXLKNKMGLN-NJGVGQBKSA-N
XLogP5.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z,4Z)-2-buta-1,3-dien-2-yl-N-methyl-3-methylidene-4-(propan-2-ylideneamino)hexa-1,4-dien-1-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,4Z)-2-buta-1,3-dien-2-yl-N-methyl-3-methylidene-4-(propan-2-ylideneamino)hexa-1,4-dien-1-amine;ethane?
The IUPAC name of (1Z,4Z)-2-buta-1,3-dien-2-yl-N-methyl-3-methylidene-4-(propan-2-ylideneamino)hexa-1,4-dien-1-amine;ethane (CID 156743877) is (1Z,4Z)-2-buta-1,3-dien-2-yl-N-methyl-3-methylidene-4-(propan-2-ylideneamino)hexa-1,4-dien-1-amine;ethane.
What is the SMILES notation for (1Z,4Z)-2-buta-1,3-dien-2-yl-N-methyl-3-methylidene-4-(propan-2-ylideneamino)hexa-1,4-dien-1-amine;ethane?
The canonical SMILES for (1Z,4Z)-2-buta-1,3-dien-2-yl-N-methyl-3-methylidene-4-(propan-2-ylideneamino)hexa-1,4-dien-1-amine;ethane is C=CC(=C)C(=CNC)C(=C)/C(=C/C)N=C(C)C.CC.CC.
What is the InChIKey of (1Z,4Z)-2-buta-1,3-dien-2-yl-N-methyl-3-methylidene-4-(propan-2-ylideneamino)hexa-1,4-dien-1-amine;ethane?
The InChIKey is LAUPJXLKNKMGLN-NJGVGQBKSA-N. The full InChI is InChI=1S/C15H22N2.2C2H6/c1-8-12(5)14(10-16-7)13(6)15(9-2)17-11(3)4;2*1-2/h8-10,16H,1,5-6H2,2-4,7H3;2*1-2H3/b14-10-,15-9-;;.
What are the key properties of (1Z,4Z)-2-buta-1,3-dien-2-yl-N-methyl-3-methylidene-4-(propan-2-ylideneamino)hexa-1,4-dien-1-amine;ethane?
(1Z,4Z)-2-buta-1,3-dien-2-yl-N-methyl-3-methylidene-4-(propan-2-ylideneamino)hexa-1,4-dien-1-amine;ethane has a molecular weight of 290.50 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z)-2-buta-1,3-dien-2-yl-N-methyl-3-methylidene-4-(propan-2-ylideneamino)hexa-1,4-dien-1-amine;ethane is sourced from PubChem (CID 156743877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).