(2Z,4Z)-N-methyl-N-(3-methylbuta-1,3-dien-2-yl)-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]hexa-2,4-dien-3-amine

C15H21F3N2 — CID 155690620

IUPAC(2Z,4Z)-N-methyl-N-(3-methylbuta-1,3-dien-2-yl)-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]hexa-2,4-dien-3-amine
SMILESC=C(C)C(=C)N(C)C(=C\C)/C(=C/C)C(=N/C)/C(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-8-12(14(19-6)15(16,17)18)13(9-2)20(7)11(5)10(3)4/h8-9H,3,5H2,1-2,4,6-7H3/b12-8-,13-9-,19-14-
InChIKeyZDQDSGJZQXQBQL-DHTHYOHGSA-N
MW286.34 g/mol
LogP4.49
Rot. Bonds5

About (2Z,4Z)-N-methyl-N-(3-methylbuta-1,3-dien-2-yl)-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]hexa-2,4-dien-3-amine

(2Z,4Z)-N-methyl-N-(3-methylbuta-1,3-dien-2-yl)-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]hexa-2,4-dien-3-amine (PubChem CID 155690620) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is (2Z,4Z)-N-methyl-N-(3-methylbuta-1,3-dien-2-yl)-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]hexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2Z,4Z)-N-methyl-N-(3-methylbuta-1,3-dien-2-yl)-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]hexa-2,4-dien-3-amine
PubChem CID155690620
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name(2Z,4Z)-N-methyl-N-(3-methylbuta-1,3-dien-2-yl)-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]hexa-2,4-dien-3-amine
SMILESC=C(C)C(=C)N(C)C(=C\C)/C(=C/C)C(=N/C)/C(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-8-12(14(19-6)15(16,17)18)13(9-2)20(7)11(5)10(3)4/h8-9H,3,5H2,1-2,4,6-7H3/b12-8-,13-9-,19-14-
InChIKeyZDQDSGJZQXQBQL-DHTHYOHGSA-N
XLogP4.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E,6Z,7E)-6-ethylidene-1,1,1,8-tetrafluoro-N,N-dimethyl-2-methyliminodeca-3,7,9-trien-3-amine
CID 155112575
3,3-difluoro-N-methyl-N-[(1E)-1-(6-methyliminocyclohexa-2,4-dien-1-ylidene)ethyl]butan-1-amine;ethane
CID 178089541
3,3-difluoro-N-methyl-N-[(1E)-1-(6-methyliminocyclohexa-2,4-dien-1-ylidene)ethyl]butan-1-amine
CID 178089542
(Z)-1-[(6E)-6-ethylidene-3,4-dimethyl-5-methylidene-2-pyridinyl]-N-methyl-N-propylprop-1-en-1-amine;molecular hydrogen
CID 178152593
(Z)-1-[(6E)-6-ethylidene-3,4-dimethyl-5-methylidene-2-pyridinyl]-N-methyl-N-propylprop-1-en-1-amine
CID 178152594

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-methyl-N-(3-methylbuta-1,3-dien-2-yl)-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]hexa-2,4-dien-3-amine?
The IUPAC name of (2Z,4Z)-N-methyl-N-(3-methylbuta-1,3-dien-2-yl)-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]hexa-2,4-dien-3-amine (CID 155690620) is (2Z,4Z)-N-methyl-N-(3-methylbuta-1,3-dien-2-yl)-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]hexa-2,4-dien-3-amine.
What is the SMILES notation for (2Z,4Z)-N-methyl-N-(3-methylbuta-1,3-dien-2-yl)-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]hexa-2,4-dien-3-amine?
The canonical SMILES for (2Z,4Z)-N-methyl-N-(3-methylbuta-1,3-dien-2-yl)-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]hexa-2,4-dien-3-amine is C=C(C)C(=C)N(C)C(=C\C)/C(=C/C)C(=N/C)/C(F)(F)F.
What is the InChIKey of (2Z,4Z)-N-methyl-N-(3-methylbuta-1,3-dien-2-yl)-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]hexa-2,4-dien-3-amine?
The InChIKey is ZDQDSGJZQXQBQL-DHTHYOHGSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-8-12(14(19-6)15(16,17)18)13(9-2)20(7)11(5)10(3)4/h8-9H,3,5H2,1-2,4,6-7H3/b12-8-,13-9-,19-14-.
What are the key properties of (2Z,4Z)-N-methyl-N-(3-methylbuta-1,3-dien-2-yl)-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]hexa-2,4-dien-3-amine?
(2Z,4Z)-N-methyl-N-(3-methylbuta-1,3-dien-2-yl)-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]hexa-2,4-dien-3-amine has a molecular weight of 286.34 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-methyl-N-(3-methylbuta-1,3-dien-2-yl)-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]hexa-2,4-dien-3-amine is sourced from PubChem (CID 155690620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).