(3Z)-N-methyl-N-(3-methylbutyl)-5-(trifluoromethyl)hexa-1,3,5-trien-2-amine

C13H20F3N — CID 144589103

IUPAC(3Z)-N-methyl-N-(3-methylbutyl)-5-(trifluoromethyl)hexa-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(=C)C(F)(F)F)N(C)CCC(C)C
InChIInChI=1S/C13H20F3N/c1-10(2)8-9-17(5)12(4)7-6-11(3)13(14,15)16/h6-7,10H,3-4,8-9H2,1-2,5H3/b7-6-
InChIKeyGLBMAZPMVVZXMR-SREVYHEPSA-N
MW247.30 g/mol
LogP4.15
Rot. Bonds6

About (3Z)-N-methyl-N-(3-methylbutyl)-5-(trifluoromethyl)hexa-1,3,5-trien-2-amine

(3Z)-N-methyl-N-(3-methylbutyl)-5-(trifluoromethyl)hexa-1,3,5-trien-2-amine (PubChem CID 144589103) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is (3Z)-N-methyl-N-(3-methylbutyl)-5-(trifluoromethyl)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-N-methyl-N-(3-methylbutyl)-5-(trifluoromethyl)hexa-1,3,5-trien-2-amine
PubChem CID144589103
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC Name(3Z)-N-methyl-N-(3-methylbutyl)-5-(trifluoromethyl)hexa-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(=C)C(F)(F)F)N(C)CCC(C)C
InChIInChI=1S/C13H20F3N/c1-10(2)8-9-17(5)12(4)7-6-11(3)13(14,15)16/h6-7,10H,3-4,8-9H2,1-2,5H3/b7-6-
InChIKeyGLBMAZPMVVZXMR-SREVYHEPSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.15
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

2-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
CID 67473380
(3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine
CID 88578859
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
1-(Difluoromethyl)-2-methylidene-5-propan-2-ylpyridine
CID 117878111
N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
CID 123191642
N,N,3-trimethyl-6-(trifluoromethyl)deca-2,4,6-trien-4-amine
CID 123265710
2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine
CID 123501893
1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
CID 123548735
N,N,N'-trimethyl-N'-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine
CID 123566839
1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847
1-N,1-N,2-N-trimethyl-2-N-[2-(1,1,1-trifluoropropan-2-yl)penta-2,4-dienyl]propane-1,2-diamine
CID 123953279
N-ethyl-N,N'-dimethyl-N'-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 123968478

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-methyl-N-(3-methylbutyl)-5-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-N-methyl-N-(3-methylbutyl)-5-(trifluoromethyl)hexa-1,3,5-trien-2-amine (CID 144589103) is (3Z)-N-methyl-N-(3-methylbutyl)-5-(trifluoromethyl)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-N-methyl-N-(3-methylbutyl)-5-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-N-methyl-N-(3-methylbutyl)-5-(trifluoromethyl)hexa-1,3,5-trien-2-amine is C=C(/C=C\C(=C)C(F)(F)F)N(C)CCC(C)C.
What is the InChIKey of (3Z)-N-methyl-N-(3-methylbutyl)-5-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
The InChIKey is GLBMAZPMVVZXMR-SREVYHEPSA-N. The full InChI is InChI=1S/C13H20F3N/c1-10(2)8-9-17(5)12(4)7-6-11(3)13(14,15)16/h6-7,10H,3-4,8-9H2,1-2,5H3/b7-6-.
What are the key properties of (3Z)-N-methyl-N-(3-methylbutyl)-5-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
(3Z)-N-methyl-N-(3-methylbutyl)-5-(trifluoromethyl)hexa-1,3,5-trien-2-amine has a molecular weight of 247.30 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-methyl-N-(3-methylbutyl)-5-(trifluoromethyl)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 144589103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).