(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine

C17H23F3N2 — CID 142297285

IUPAC(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine
SMILESC=C/C=C\C(=C(C)\C(N=C)=C(\C=C/CN)C(F)(F)F)C(C)C
InChIInChI=1S/C17H23F3N2/c1-6-7-9-14(12(2)3)13(4)16(22-5)15(10-8-11-21)17(18,19)20/h6-10,12H,1,5,11,21H2,2-4H3/b9-7-,10-8-,14-13-,16-15+
InChIKeyQWBIQBZAHBDTRA-JHCOQLGLSA-N
MW312.38 g/mol
LogP4.73
Rot. Bonds7

About (2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine

(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine (PubChem CID 142297285) has the molecular formula C17H23F3N2 and a molecular weight of 312.38 g/mol. Its IUPAC name is (2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine.

Molecular Properties

Compound Name(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine
PubChem CID142297285
Molecular FormulaC17H23F3N2
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine
SMILESC=C/C=C\C(=C(C)\C(N=C)=C(\C=C/CN)C(F)(F)F)C(C)C
InChIInChI=1S/C17H23F3N2/c1-6-7-9-14(12(2)3)13(4)16(22-5)15(10-8-11-21)17(18,19)20/h6-10,12H,1,5,11,21H2,2-4H3/b9-7-,10-8-,14-13-,16-15+
InChIKeyQWBIQBZAHBDTRA-JHCOQLGLSA-N
XLogP4.73
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine?
The IUPAC name of (2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine (CID 142297285) is (2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine.
What is the SMILES notation for (2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine?
The canonical SMILES for (2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine is C=C/C=C\C(=C(C)\C(N=C)=C(\C=C/CN)C(F)(F)F)C(C)C.
What is the InChIKey of (2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine?
The InChIKey is QWBIQBZAHBDTRA-JHCOQLGLSA-N. The full InChI is InChI=1S/C17H23F3N2/c1-6-7-9-14(12(2)3)13(4)16(22-5)15(10-8-11-21)17(18,19)20/h6-10,12H,1,5,11,21H2,2-4H3/b9-7-,10-8-,14-13-,16-15+.
What are the key properties of (2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine?
(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine has a molecular weight of 312.38 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine is sourced from PubChem (CID 142297285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).