(3E,5E,7E,12Z)-3-(difluoromethyl)-N,N,6,7,14-pentamethyl-11-methyliminopentadeca-1,3,5,7,12,14-hexaen-8-amine

C22H32F2N2 — CID 167046233

IUPAC(3E,5E,7E,12Z)-3-(difluoromethyl)-N,N,6,7,14-pentamethyl-11-methyliminopentadeca-1,3,5,7,12,14-hexaen-8-amine
SMILESC=C/C(=C\C=C(C)\C(C)=C(/CCC(/C=C\C(=C)C)=N\C)N(C)C)C(F)F
InChIInChI=1S/C22H32F2N2/c1-9-19(22(23)24)12-11-17(4)18(5)21(26(7)8)15-14-20(25-6)13-10-16(2)3/h9-13,22H,1-2,14-15H2,3-8H3/b13-10-,17-11+,19-12+,21-18+,25-20-
InChIKeyBWHQDHZGISTQQA-SCTNNUKCSA-N
MW362.51 g/mol
LogP6.13
Rot. Bonds10

About (3E,5E,7E,12Z)-3-(difluoromethyl)-N,N,6,7,14-pentamethyl-11-methyliminopentadeca-1,3,5,7,12,14-hexaen-8-amine

(3E,5E,7E,12Z)-3-(difluoromethyl)-N,N,6,7,14-pentamethyl-11-methyliminopentadeca-1,3,5,7,12,14-hexaen-8-amine (PubChem CID 167046233) has the molecular formula C22H32F2N2 and a molecular weight of 362.51 g/mol. Its IUPAC name is (3E,5E,7E,12Z)-3-(difluoromethyl)-N,N,6,7,14-pentamethyl-11-methyliminopentadeca-1,3,5,7,12,14-hexaen-8-amine.

Molecular Properties

Compound Name(3E,5E,7E,12Z)-3-(difluoromethyl)-N,N,6,7,14-pentamethyl-11-methyliminopentadeca-1,3,5,7,12,14-hexaen-8-amine
PubChem CID167046233
Molecular FormulaC22H32F2N2
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name(3E,5E,7E,12Z)-3-(difluoromethyl)-N,N,6,7,14-pentamethyl-11-methyliminopentadeca-1,3,5,7,12,14-hexaen-8-amine
SMILESC=C/C(=C\C=C(C)\C(C)=C(/CCC(/C=C\C(=C)C)=N\C)N(C)C)C(F)F
InChIInChI=1S/C22H32F2N2/c1-9-19(22(23)24)12-11-17(4)18(5)21(26(7)8)15-14-20(25-6)13-10-16(2)3/h9-13,22H,1-2,14-15H2,3-8H3/b13-10-,17-11+,19-12+,21-18+,25-20-
InChIKeyBWHQDHZGISTQQA-SCTNNUKCSA-N
XLogP6.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5E,7E,12Z)-3-(difluoromethyl)-N,N,6,7,14-pentamethyl-11-methyliminopentadeca-1,3,5,7,12,14-hexaen-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,12Z)-3-(difluoromethyl)-N,N,6,7,14-pentamethyl-11-methyliminopentadeca-1,3,5,7,12,14-hexaen-8-amine?
The IUPAC name of (3E,5E,7E,12Z)-3-(difluoromethyl)-N,N,6,7,14-pentamethyl-11-methyliminopentadeca-1,3,5,7,12,14-hexaen-8-amine (CID 167046233) is (3E,5E,7E,12Z)-3-(difluoromethyl)-N,N,6,7,14-pentamethyl-11-methyliminopentadeca-1,3,5,7,12,14-hexaen-8-amine.
What is the SMILES notation for (3E,5E,7E,12Z)-3-(difluoromethyl)-N,N,6,7,14-pentamethyl-11-methyliminopentadeca-1,3,5,7,12,14-hexaen-8-amine?
The canonical SMILES for (3E,5E,7E,12Z)-3-(difluoromethyl)-N,N,6,7,14-pentamethyl-11-methyliminopentadeca-1,3,5,7,12,14-hexaen-8-amine is C=C/C(=C\C=C(C)\C(C)=C(/CCC(/C=C\C(=C)C)=N\C)N(C)C)C(F)F.
What is the InChIKey of (3E,5E,7E,12Z)-3-(difluoromethyl)-N,N,6,7,14-pentamethyl-11-methyliminopentadeca-1,3,5,7,12,14-hexaen-8-amine?
The InChIKey is BWHQDHZGISTQQA-SCTNNUKCSA-N. The full InChI is InChI=1S/C22H32F2N2/c1-9-19(22(23)24)12-11-17(4)18(5)21(26(7)8)15-14-20(25-6)13-10-16(2)3/h9-13,22H,1-2,14-15H2,3-8H3/b13-10-,17-11+,19-12+,21-18+,25-20-.
What are the key properties of (3E,5E,7E,12Z)-3-(difluoromethyl)-N,N,6,7,14-pentamethyl-11-methyliminopentadeca-1,3,5,7,12,14-hexaen-8-amine?
(3E,5E,7E,12Z)-3-(difluoromethyl)-N,N,6,7,14-pentamethyl-11-methyliminopentadeca-1,3,5,7,12,14-hexaen-8-amine has a molecular weight of 362.51 g/mol, XLogP of 6.13, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,12Z)-3-(difluoromethyl)-N,N,6,7,14-pentamethyl-11-methyliminopentadeca-1,3,5,7,12,14-hexaen-8-amine is sourced from PubChem (CID 167046233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).