6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide

C12H23F3N2O — CID 113327443

IUPAC6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide
SMILESCC(N)CCCC(C)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-9(5-3-6-10(2)16)11(18)17-8-4-7-12(13,14)15/h9-10H,3-8,16H2,1-2H3,(H,17,18)
InChIKeyFKUVDHADOXNHSO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.60
Rot. Bonds8

About 6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide

6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide (PubChem CID 113327443) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide
PubChem CID113327443
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide
SMILESCC(N)CCCC(C)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-9(5-3-6-10(2)16)11(18)17-8-4-7-12(13,14)15/h9-10H,3-8,16H2,1-2H3,(H,17,18)
InChIKeyFKUVDHADOXNHSO-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide
CID 115519191
6-amino-2-methyl-N-pentylheptanamide
CID 65292783
6-amino-N-(4-hydroxybutyl)-2-methylheptanamide
CID 106841939
6-amino-2-methyl-N-propylheptanamide
CID 65292773
6-amino-2-methyl-N-(3-methylbutyl)heptanamide
CID 65293191
6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide
CID 83109295
(2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide
CID 115519316
5-amino-N-(3,3,3-trifluoropropyl)hexanamide
CID 82851486
6-amino-2-methyl-N-prop-2-ynylheptanamide
CID 65292646
1-N-(4,4,4-trifluorobutyl)butane-1,3-diamine
CID 115520181
6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
CID 65292561
2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide
CID 113327482

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide?
The IUPAC name of 6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide (CID 113327443) is 6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide?
The canonical SMILES for 6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide is CC(N)CCCC(C)C(=O)NCCCC(F)(F)F.
What is the InChIKey of 6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide?
The InChIKey is FKUVDHADOXNHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-9(5-3-6-10(2)16)11(18)17-8-4-7-12(13,14)15/h9-10H,3-8,16H2,1-2H3,(H,17,18).
What are the key properties of 6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide?
6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide has a molecular weight of 268.32 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide is sourced from PubChem (CID 113327443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).