(5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine

C13H20F3NO — CID 145278538

IUPAC(5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine
SMILESC=C(/C=C\C(=C)C(C)CCN(C)C)OC(F)(F)F
InChIInChI=1S/C13H20F3NO/c1-10(11(2)8-9-17(4)5)6-7-12(3)18-13(14,15)16/h6-7,11H,1,3,8-9H2,2,4-5H3/b7-6-
InChIKeyCCLRCFGKWYXLKX-SREVYHEPSA-N
MW263.30 g/mol
LogP3.74
Rot. Bonds7

About (5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine

(5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine (PubChem CID 145278538) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is (5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine.

Molecular Properties

Compound Name(5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine
PubChem CID145278538
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name(5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine
SMILESC=C(/C=C\C(=C)C(C)CCN(C)C)OC(F)(F)F
InChIInChI=1S/C13H20F3NO/c1-10(11(2)8-9-17(4)5)6-7-12(3)18-13(14,15)16/h6-7,11H,1,3,8-9H2,2,4-5H3/b7-6-
InChIKeyCCLRCFGKWYXLKX-SREVYHEPSA-N
XLogP3.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5E)-6-methoxy-1-N,1-N,3-trimethyl-4-methylideneocta-5,7-diene-1,7-diamine
CID 155721839
(3Z)-5-(trifluoromethoxy)hexa-1,3,5-triene-2-thiol
CID 142042475
(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 144676252
(3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene
CID 144754217
(3Z)-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dienoic acid
CID 144580682
(3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene
CID 145192071
(3Z)-2,6,9-trimethyl-5-methylidenedeca-1,3-diene
CID 142315243
(Z)-2,7-dimethyl-3,6-dimethylidenedec-4-ene;propane
CID 166116853
tert-butyl N-methyl-N-[(5Z)-3-methyl-4-methylidene-7-(phenoxycarbonylamino)octa-5,7-dienyl]carbamate
CID 176960602
3-fluoro-N,N-dimethylbutan-1-amine
CID 142449569
4-(dimethylamino)-2-methylbutanamide;hydrochloride
CID 143130107
(3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene
CID 145009658

Frequently Asked Questions

What is the IUPAC name of (5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine?
The IUPAC name of (5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine (CID 145278538) is (5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine.
What is the SMILES notation for (5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine?
The canonical SMILES for (5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine is C=C(/C=C\C(=C)C(C)CCN(C)C)OC(F)(F)F.
What is the InChIKey of (5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine?
The InChIKey is CCLRCFGKWYXLKX-SREVYHEPSA-N. The full InChI is InChI=1S/C13H20F3NO/c1-10(11(2)8-9-17(4)5)6-7-12(3)18-13(14,15)16/h6-7,11H,1,3,8-9H2,2,4-5H3/b7-6-.
What are the key properties of (5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine?
(5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine has a molecular weight of 263.30 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine is sourced from PubChem (CID 145278538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).