(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine

C13H17F6N — CID 130242890

IUPAC(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine
SMILESC=C(/C=C\C(=C/C)C(F)(F)F)CN(C)CCC(F)(F)F
InChIInChI=1S/C13H17F6N/c1-4-11(13(17,18)19)6-5-10(2)9-20(3)8-7-12(14,15)16/h4-6H,2,7-9H2,1,3H3/b6-5-,11-4+
InChIKeyYEBHWXMIXQHEQU-VWXLBWAMSA-N
MW301.27 g/mol
LogP4.49
Rot. Bonds6

About (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine

(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine (PubChem CID 130242890) has the molecular formula C13H17F6N and a molecular weight of 301.27 g/mol. Its IUPAC name is (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine
PubChem CID130242890
Molecular FormulaC13H17F6N
Molecular Weight301.27 g/mol
Exact Mass301.13
IUPAC Name(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine
SMILESC=C(/C=C\C(=C/C)C(F)(F)F)CN(C)CCC(F)(F)F
InChIInChI=1S/C13H17F6N/c1-4-11(13(17,18)19)6-5-10(2)9-20(3)8-7-12(14,15)16/h4-6H,2,7-9H2,1,3H3/b6-5-,11-4+
InChIKeyYEBHWXMIXQHEQU-VWXLBWAMSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-N-(1,1,2,2,2-pentafluoroethyl)-N-propylcyclohexa-2,4-dien-1-amine
CID 87882835
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908
6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine
CID 123519237
1-Methyl-4-[2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]piperazine
CID 123611666
5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 129083859
1-(2,2-difluoroethyl)-5-methyl-2H-pyridine
CID 130252923
(2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine
CID 130317615
(E)-4,4,4-trifluoro-N,N,3-trimethyl-2-prop-1-en-2-ylbut-2-en-1-amine
CID 134466317
1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine
CID 138509575
3-methyl-N-prop-2-enyl-N-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]butan-1-amine
CID 138519067
N',N'-diethyl-N-methyl-N-[(3Z,5Z)-5-methyl-7-(trifluoromethyl)octa-3,5,7-trienyl]ethane-1,2-diamine
CID 138564568
(2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine
CID 138737220

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine?
The IUPAC name of (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine (CID 130242890) is (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine?
The canonical SMILES for (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine is C=C(/C=C\C(=C/C)C(F)(F)F)CN(C)CCC(F)(F)F.
What is the InChIKey of (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine?
The InChIKey is YEBHWXMIXQHEQU-VWXLBWAMSA-N. The full InChI is InChI=1S/C13H17F6N/c1-4-11(13(17,18)19)6-5-10(2)9-20(3)8-7-12(14,15)16/h4-6H,2,7-9H2,1,3H3/b6-5-,11-4+.
What are the key properties of (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine?
(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine has a molecular weight of 301.27 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine is sourced from PubChem (CID 130242890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).