6-(methylideneamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide

C15H19F3N2O — CID 164530484

IUPAC6-(methylideneamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide
SMILESC=NCCCCCC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-19-10-6-2-3-9-14(21)20-11-12-7-4-5-8-13(12)15(16,17)18/h4-5,7-8H,1-3,6,9-11H2,(H,20,21)
InChIKeyIZIPBUWHTSAOJQ-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.58
Rot. Bonds8

About 6-(methylideneamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide

6-(methylideneamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide (PubChem CID 164530484) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 6-(methylideneamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide.

Molecular Properties

Compound Name6-(methylideneamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide
PubChem CID164530484
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name6-(methylideneamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide
SMILESC=NCCCCCC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-19-10-6-2-3-9-14(21)20-11-12-7-4-5-8-13(12)15(16,17)18/h4-5,7-8H,1-3,6,9-11H2,(H,20,21)
InChIKeyIZIPBUWHTSAOJQ-UHFFFAOYSA-N
XLogP3.58
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(methylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide
CID 167116783
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 126520228
4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 62879951
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 82010760
2-(ethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55129029
2-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]sulfanylacetic acid
CID 115580456
2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 20969118
2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 112686778
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 167113922

Frequently Asked Questions

What is the IUPAC name of 6-(methylideneamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide?
The IUPAC name of 6-(methylideneamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide (CID 164530484) is 6-(methylideneamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide.
What is the SMILES notation for 6-(methylideneamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide?
The canonical SMILES for 6-(methylideneamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide is C=NCCCCCC(=O)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 6-(methylideneamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide?
The InChIKey is IZIPBUWHTSAOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-19-10-6-2-3-9-14(21)20-11-12-7-4-5-8-13(12)15(16,17)18/h4-5,7-8H,1-3,6,9-11H2,(H,20,21).
What are the key properties of 6-(methylideneamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide?
6-(methylideneamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide has a molecular weight of 300.32 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylideneamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide is sourced from PubChem (CID 164530484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).