(1Z)-4-ethenyl-3-N,3-N-dimethylhexa-1,3,5-triene-1,3-diamine

C10H16N2 — CID 130248294

IUPAC(1Z)-4-ethenyl-3-N,3-N-dimethylhexa-1,3,5-triene-1,3-diamine
SMILESC=CC(C=C)=C(/C=C\N)N(C)C
InChIInChI=1S/C10H16N2/c1-5-9(6-2)10(7-8-11)12(3)4/h5-8H,1-2,11H2,3-4H3/b8-7-
InChIKeyMXMBSWMETNFOMW-FPLPWBNLSA-N
MW164.25 g/mol
LogP1.65
Rot. Bonds4

About (1Z)-4-ethenyl-3-N,3-N-dimethylhexa-1,3,5-triene-1,3-diamine

(1Z)-4-ethenyl-3-N,3-N-dimethylhexa-1,3,5-triene-1,3-diamine (PubChem CID 130248294) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (1Z)-4-ethenyl-3-N,3-N-dimethylhexa-1,3,5-triene-1,3-diamine.

Molecular Properties

Compound Name(1Z)-4-ethenyl-3-N,3-N-dimethylhexa-1,3,5-triene-1,3-diamine
PubChem CID130248294
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(1Z)-4-ethenyl-3-N,3-N-dimethylhexa-1,3,5-triene-1,3-diamine
SMILESC=CC(C=C)=C(/C=C\N)N(C)C
InChIInChI=1S/C10H16N2/c1-5-9(6-2)10(7-8-11)12(3)4/h5-8H,1-2,11H2,3-4H3/b8-7-
InChIKeyMXMBSWMETNFOMW-FPLPWBNLSA-N
XLogP1.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z)-4-ethenyl-3-N,3-N-dimethylhexa-1,3,5-triene-1,3-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

methyl (2E,4Z)-5-(dimethylamino)-4-ethenylhepta-2,4,6-trienoate
CID 122533921
(1Z,3Z,5E)-5-[(E)-N-(1-aminoethenyl)-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-N,3-N,4-trimethylhexa-1,3,5-triene-1,3,6-triamine
CID 143922563
(1Z,3E)-4-methoxy-3-methylhexa-1,3,5-trien-1-amine
CID 89205984
(1Z)-3-N-amino-4-methyl-3-N-(methylamino)penta-1,3-diene-1,3-diamine
CID 170048759
(5E)-3,4-bis(ethenyl)hepta-1,3,5-triene
CID 142110830
methanamine;(1E)-1-N',1-N',2-trimethylbuta-1,3-diene-1,1-diamine
CID 143791627
(2Z,4E,6Z)-5-ethenylocta-2,4,6-trien-4-amine
CID 170027215
(E)-3-amino-N'-ethenyl-N-(methylideneamino)-N-propan-2-ylprop-2-enimidamide
CID 90437273
ethane;(2Z)-2-ethenyl-3-formyl-N,N-dimethylpenta-2,4-dienamide
CID 145145481
(3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine
CID 142864476
(1Z,3E,4E)-3-(1-bromoprop-2-enylidene)nona-1,4-dien-1-amine
CID 89045060
(E)-3-methylidenepent-1-en-1-amine
CID 154554960

Frequently Asked Questions

What is the IUPAC name of (1Z)-4-ethenyl-3-N,3-N-dimethylhexa-1,3,5-triene-1,3-diamine?
The IUPAC name of (1Z)-4-ethenyl-3-N,3-N-dimethylhexa-1,3,5-triene-1,3-diamine (CID 130248294) is (1Z)-4-ethenyl-3-N,3-N-dimethylhexa-1,3,5-triene-1,3-diamine.
What is the SMILES notation for (1Z)-4-ethenyl-3-N,3-N-dimethylhexa-1,3,5-triene-1,3-diamine?
The canonical SMILES for (1Z)-4-ethenyl-3-N,3-N-dimethylhexa-1,3,5-triene-1,3-diamine is C=CC(C=C)=C(/C=C\N)N(C)C.
What is the InChIKey of (1Z)-4-ethenyl-3-N,3-N-dimethylhexa-1,3,5-triene-1,3-diamine?
The InChIKey is MXMBSWMETNFOMW-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-9(6-2)10(7-8-11)12(3)4/h5-8H,1-2,11H2,3-4H3/b8-7-.
What are the key properties of (1Z)-4-ethenyl-3-N,3-N-dimethylhexa-1,3,5-triene-1,3-diamine?
(1Z)-4-ethenyl-3-N,3-N-dimethylhexa-1,3,5-triene-1,3-diamine has a molecular weight of 164.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-ethenyl-3-N,3-N-dimethylhexa-1,3,5-triene-1,3-diamine is sourced from PubChem (CID 130248294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).