(1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine

C10H22N4 — CID 134406427

IUPAC(1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine
SMILESC/C(N)=C/C=C(\N)N(C)CCN(C)C
InChIInChI=1S/C10H22N4/c1-9(11)5-6-10(12)14(4)8-7-13(2)3/h5-6H,7-8,11-12H2,1-4H3/b9-5-,10-6+
InChIKeyZXZKBBHIEGGPSB-VTBWALSUSA-N
MW198.31 g/mol
LogP0.14
Rot. Bonds5

About (1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine

(1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine (PubChem CID 134406427) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is (1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine
PubChem CID134406427
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name(1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine
SMILESC/C(N)=C/C=C(\N)N(C)CCN(C)C
InChIInChI=1S/C10H22N4/c1-9(11)5-6-10(12)14(4)8-7-13(2)3/h5-6H,7-8,11-12H2,1-4H3/b9-5-,10-6+
InChIKeyZXZKBBHIEGGPSB-VTBWALSUSA-N
XLogP0.14
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine with MolForge

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

Launch Full Analysis

Related Compounds

(1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine
CID 134406241
(1E,3Z)-1-N'-methyl-1-N'-[3-(methylamino)propyl]penta-1,3-diene-1,1,4-triamine
CID 134406198
(3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine
CID 155721831
(2E,4E)-5-N-(2-methoxyethyl)-5-N-methylhexa-2,4-diene-2,5-diamine
CID 129061385
N-[2-(dimethylamino)ethyl]-N-methylacetamide;ethane
CID 143604144
buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine
CID 160608362
1-[2-(dimethylamino)ethyl]-2-[(E)-2,2-dimethylpropylideneamino]-1-methylguanidine
CID 172938498
CID 88826921
CID 88826921
CID 173338058
CID 173338058
CID 175787026
CID 175787026
methylphosphanylmethyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate
CID 162757733
N,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine
CID 142886831

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine?
The IUPAC name of (1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine (CID 134406427) is (1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine is C/C(N)=C/C=C(\N)N(C)CCN(C)C.
What is the InChIKey of (1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine?
The InChIKey is ZXZKBBHIEGGPSB-VTBWALSUSA-N. The full InChI is InChI=1S/C10H22N4/c1-9(11)5-6-10(12)14(4)8-7-13(2)3/h5-6H,7-8,11-12H2,1-4H3/b9-5-,10-6+.
What are the key properties of (1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine?
(1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine has a molecular weight of 198.31 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 134406427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).