N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide

C9H17F3N2O — CID 81483985

IUPACN-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-6(2)7(13)4-5-14(3)8(15)9(10,11)12/h6-7H,4-5,13H2,1-3H3
InChIKeyDBBTTWFVLHGTJJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.38
Rot. Bonds4

About N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide

N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 81483985) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID81483985
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-6(2)7(13)4-5-14(3)8(15)9(10,11)12/h6-7H,4-5,13H2,1-3H3
InChIKeyDBBTTWFVLHGTJJ-UHFFFAOYSA-N
XLogP1.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide
CID 81484329
N-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807711
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 58971605
N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 81487190
N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 119659005
2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide
CID 119660546
N-(3-amino-4-methylpentyl)-2-methoxy-N-methylpropanamide
CID 115737860
N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
CID 119657234
N-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide
CID 103021642
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-3-methoxy-N-methylpropanamide
CID 81485025

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide (CID 81483985) is N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide is CC(C)C(N)CCN(C)C(=O)C(F)(F)F.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is DBBTTWFVLHGTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-6(2)7(13)4-5-14(3)8(15)9(10,11)12/h6-7H,4-5,13H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide?
N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 226.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 81483985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).