(2E,3E)-N-methyl-2-propylidene-3-(trifluoromethyl)hexa-3,5-dien-1-amine

C11H16F3N — CID 142872853

IUPAC(2E,3E)-N-methyl-2-propylidene-3-(trifluoromethyl)hexa-3,5-dien-1-amine
SMILESC=C/C=C(C(=C/CC)\CNC)/C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-4-6-9(8-15-3)10(7-5-2)11(12,13)14/h5-7,15H,2,4,8H2,1,3H3/b9-6-,10-7+
InChIKeyVCZDPSQGHJQMJN-PCCLLEMOSA-N
MW219.25 g/mol
LogP3.22
Rot. Bonds5

About (2E,3E)-N-methyl-2-propylidene-3-(trifluoromethyl)hexa-3,5-dien-1-amine

(2E,3E)-N-methyl-2-propylidene-3-(trifluoromethyl)hexa-3,5-dien-1-amine (PubChem CID 142872853) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (2E,3E)-N-methyl-2-propylidene-3-(trifluoromethyl)hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(2E,3E)-N-methyl-2-propylidene-3-(trifluoromethyl)hexa-3,5-dien-1-amine
PubChem CID142872853
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(2E,3E)-N-methyl-2-propylidene-3-(trifluoromethyl)hexa-3,5-dien-1-amine
SMILESC=C/C=C(C(=C/CC)\CNC)/C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-4-6-9(8-15-3)10(7-5-2)11(12,13)14/h5-7,15H,2,4,8H2,1,3H3/b9-6-,10-7+
InChIKeyVCZDPSQGHJQMJN-PCCLLEMOSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 89228068
(2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine
CID 89270021
(1E,3Z)-N,5-dimethyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89302512
(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine
CID 89320137
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
4-fluoro-N-methyl-2-methylidenepent-3-en-1-amine
CID 123939942
(2E,3Z)-2-ethylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine
CID 126710458

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-N-methyl-2-propylidene-3-(trifluoromethyl)hexa-3,5-dien-1-amine?
The IUPAC name of (2E,3E)-N-methyl-2-propylidene-3-(trifluoromethyl)hexa-3,5-dien-1-amine (CID 142872853) is (2E,3E)-N-methyl-2-propylidene-3-(trifluoromethyl)hexa-3,5-dien-1-amine.
What is the SMILES notation for (2E,3E)-N-methyl-2-propylidene-3-(trifluoromethyl)hexa-3,5-dien-1-amine?
The canonical SMILES for (2E,3E)-N-methyl-2-propylidene-3-(trifluoromethyl)hexa-3,5-dien-1-amine is C=C/C=C(C(=C/CC)\CNC)/C(F)(F)F.
What is the InChIKey of (2E,3E)-N-methyl-2-propylidene-3-(trifluoromethyl)hexa-3,5-dien-1-amine?
The InChIKey is VCZDPSQGHJQMJN-PCCLLEMOSA-N. The full InChI is InChI=1S/C11H16F3N/c1-4-6-9(8-15-3)10(7-5-2)11(12,13)14/h5-7,15H,2,4,8H2,1,3H3/b9-6-,10-7+.
What are the key properties of (2E,3E)-N-methyl-2-propylidene-3-(trifluoromethyl)hexa-3,5-dien-1-amine?
(2E,3E)-N-methyl-2-propylidene-3-(trifluoromethyl)hexa-3,5-dien-1-amine has a molecular weight of 219.25 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-N-methyl-2-propylidene-3-(trifluoromethyl)hexa-3,5-dien-1-amine is sourced from PubChem (CID 142872853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).