(1E,4Z)-2-ethenyl-1-N',1-N'-dimethyl-3-methylidenehexa-1,4-diene-1,1-diamine

C11H18N2 — CID 143575022

IUPAC(1E,4Z)-2-ethenyl-1-N',1-N'-dimethyl-3-methylidenehexa-1,4-diene-1,1-diamine
SMILESC=C/C(C(=C)/C=C\C)=C(/N)N(C)C
InChIInChI=1S/C11H18N2/c1-6-8-9(3)10(7-2)11(12)13(4)5/h6-8H,2-3,12H2,1,4-5H3/b8-6-,11-10+
InChIKeyOCUOYPMREHARCN-FEVLKHHISA-N
MW178.28 g/mol
LogP2.04
Rot. Bonds4

About (1E,4Z)-2-ethenyl-1-N',1-N'-dimethyl-3-methylidenehexa-1,4-diene-1,1-diamine

(1E,4Z)-2-ethenyl-1-N',1-N'-dimethyl-3-methylidenehexa-1,4-diene-1,1-diamine (PubChem CID 143575022) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (1E,4Z)-2-ethenyl-1-N',1-N'-dimethyl-3-methylidenehexa-1,4-diene-1,1-diamine.

Molecular Properties

Compound Name(1E,4Z)-2-ethenyl-1-N',1-N'-dimethyl-3-methylidenehexa-1,4-diene-1,1-diamine
PubChem CID143575022
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(1E,4Z)-2-ethenyl-1-N',1-N'-dimethyl-3-methylidenehexa-1,4-diene-1,1-diamine
SMILESC=C/C(C(=C)/C=C\C)=C(/N)N(C)C
InChIInChI=1S/C11H18N2/c1-6-8-9(3)10(7-2)11(12)13(4)5/h6-8H,2-3,12H2,1,4-5H3/b8-6-,11-10+
InChIKeyOCUOYPMREHARCN-FEVLKHHISA-N
XLogP2.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E,4Z)-2-ethenyl-1-N',1-N'-dimethyl-3-methylidenehexa-1,4-diene-1,1-diamine 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

6,6-Bis(dimethylamino)fulvene
CID 283350
1-cyclohepta-2,4,6-trien-1-ylidene-N,N,N',N'-tetramethylmethanediamine
CID 639401
1-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-N,N,N',N'-tetramethylmethanediamine
CID 12824843
1-(3-ethylcyclopenta-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine
CID 134923752
N,N,N',N'-tetramethyl-1-(3-methylcyclopenta-2,4-dien-1-ylidene)methanediamine
CID 134988622
(1E,3Z)-1-N',2-dimethylhexa-1,3,5-triene-1,1-diamine
CID 89129495
(1E,4E)-2-[(1Z)-buta-1,3-dienyl]-N',N'-dimethyl-3-methylidenepenta-1,4-diene-1,5-diamine
CID 89224636
(3Z)-5-methyl-2-prop-1-en-2-ylhexa-1,3-diene-1,1-diamine
CID 126593826
1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine
CID 130347219
(4E)-1-N,1-N',5,6-tetramethylhepta-1,2,4,6-tetraene-1,1-diamine
CID 132001521
1,3-Dimethylazepin-2-amine
CID 141023883
1-cyclohexa-2,4-dien-1-ylidene-N,N,N',N'-tetramethylmethanediamine
CID 141201028

Frequently Asked Questions

What is the IUPAC name of (1E,4Z)-2-ethenyl-1-N',1-N'-dimethyl-3-methylidenehexa-1,4-diene-1,1-diamine?
The IUPAC name of (1E,4Z)-2-ethenyl-1-N',1-N'-dimethyl-3-methylidenehexa-1,4-diene-1,1-diamine (CID 143575022) is (1E,4Z)-2-ethenyl-1-N',1-N'-dimethyl-3-methylidenehexa-1,4-diene-1,1-diamine.
What is the SMILES notation for (1E,4Z)-2-ethenyl-1-N',1-N'-dimethyl-3-methylidenehexa-1,4-diene-1,1-diamine?
The canonical SMILES for (1E,4Z)-2-ethenyl-1-N',1-N'-dimethyl-3-methylidenehexa-1,4-diene-1,1-diamine is C=C/C(C(=C)/C=C\C)=C(/N)N(C)C.
What is the InChIKey of (1E,4Z)-2-ethenyl-1-N',1-N'-dimethyl-3-methylidenehexa-1,4-diene-1,1-diamine?
The InChIKey is OCUOYPMREHARCN-FEVLKHHISA-N. The full InChI is InChI=1S/C11H18N2/c1-6-8-9(3)10(7-2)11(12)13(4)5/h6-8H,2-3,12H2,1,4-5H3/b8-6-,11-10+.
What are the key properties of (1E,4Z)-2-ethenyl-1-N',1-N'-dimethyl-3-methylidenehexa-1,4-diene-1,1-diamine?
(1E,4Z)-2-ethenyl-1-N',1-N'-dimethyl-3-methylidenehexa-1,4-diene-1,1-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z)-2-ethenyl-1-N',1-N'-dimethyl-3-methylidenehexa-1,4-diene-1,1-diamine is sourced from PubChem (CID 143575022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).