2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine

C19H34F3N — CID 168907083

IUPAC2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine
SMILESC/N=C(/C=C(\C(C)C)C1CCC(C)CC1)C(F)(F)F.CC(C)C
InChIInChI=1S/C15H24F3N.C4H10/c1-10(2)13(9-14(19-4)15(16,17)18)12-7-5-11(3)6-8-12;1-4(2)3/h9-12H,5-8H2,1-4H3;4H,1-3H3/b13-9+,19-14-;
InChIKeySCMAOVSQTPURPN-XPTGSUNKSA-N
MW333.48 g/mol
LogP6.69
Rot. Bonds3

About 2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine

2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine (PubChem CID 168907083) has the molecular formula C19H34F3N and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine.

Molecular Properties

Compound Name2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine
PubChem CID168907083
Molecular FormulaC19H34F3N
Molecular Weight333.48 g/mol
Exact Mass333.26
IUPAC Name2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine
SMILESC/N=C(/C=C(\C(C)C)C1CCC(C)CC1)C(F)(F)F.CC(C)C
InChIInChI=1S/C15H24F3N.C4H10/c1-10(2)13(9-14(19-4)15(16,17)18)12-7-5-11(3)6-8-12;1-4(2)3/h9-12H,5-8H2,1-4H3;4H,1-3H3/b13-9+,19-14-;
InChIKeySCMAOVSQTPURPN-XPTGSUNKSA-N
XLogP6.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine with MolForge

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Related Compounds

(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine
CID 123865859
1-[(5S)-4-ethyl-5-fluorocyclohex-3-en-1-yl]-N-methylethanimine
CID 126545859
1-(4,4-difluorocyclohexyl)-N-[(Z)-2,4-dimethylpent-2-enyl]-3-methylbut-2-en-1-imine
CID 129066469
(E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine;ethane
CID 170647063
6-(3,4-Dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine
CID 153339001
N-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine
CID 162565601
(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine
CID 168907084

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine?
The IUPAC name of 2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine (CID 168907083) is 2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine.
What is the SMILES notation for 2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine?
The canonical SMILES for 2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine is C/N=C(/C=C(\C(C)C)C1CCC(C)CC1)C(F)(F)F.CC(C)C.
What is the InChIKey of 2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine?
The InChIKey is SCMAOVSQTPURPN-XPTGSUNKSA-N. The full InChI is InChI=1S/C15H24F3N.C4H10/c1-10(2)13(9-14(19-4)15(16,17)18)12-7-5-11(3)6-8-12;1-4(2)3/h9-12H,5-8H2,1-4H3;4H,1-3H3/b13-9+,19-14-;.
What are the key properties of 2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine?
2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine has a molecular weight of 333.48 g/mol, XLogP of 6.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine is sourced from PubChem (CID 168907083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).