N-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide

C9H17F3N2O — CID 106153392

IUPACN-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide
SMILESCC(CN)CCCNC(=O)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-7(6-13)3-2-4-14-8(15)5-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15)
InChIKeyHUHRWRVXQVIEBJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.43
Rot. Bonds6

About N-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide

N-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide (PubChem CID 106153392) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide
PubChem CID106153392
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide
SMILESCC(CN)CCCNC(=O)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-7(6-13)3-2-4-14-8(15)5-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15)
InChIKeyHUHRWRVXQVIEBJ-UHFFFAOYSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.43
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

N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106152917
N-(5-amino-4-methylpentyl)hexanamide
CID 57163193
5-amino-N-(4-hydroxybutyl)-4-methylpentanamide
CID 106842029
N-(5-amino-4-methylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 106152815
N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide
CID 106153328
N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide
CID 114150778
5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid
CID 82689538
6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide
CID 113327466
N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 106152852
5-amino-N-(3-cyanopropyl)-4-methylpentanamide
CID 82010988
N-(5-amino-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide
CID 106153157
N-(5-amino-4-methylpentyl)-2-naphthalen-1-ylacetamide
CID 106152740

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide (CID 106153392) is N-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide is CC(CN)CCCNC(=O)CC(F)(F)F.
What is the InChIKey of N-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide?
The InChIKey is HUHRWRVXQVIEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-7(6-13)3-2-4-14-8(15)5-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15).
What are the key properties of N-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide?
N-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide has a molecular weight of 226.24 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 106153392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).