N-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide

C10H19F3N2O — CID 107206525

IUPACN-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide
SMILESCN(CCCCCN)C(=O)CCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-15(8-4-2-3-7-14)9(16)5-6-10(11,12)13/h2-8,14H2,1H3
InChIKeyRVGNGFUYZGZGAR-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.92
Rot. Bonds7

About N-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide

N-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide (PubChem CID 107206525) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide
PubChem CID107206525
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide
SMILESCN(CCCCCN)C(=O)CCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-15(8-4-2-3-7-14)9(16)5-6-10(11,12)13/h2-8,14H2,1H3
InChIKeyRVGNGFUYZGZGAR-UHFFFAOYSA-N
XLogP1.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide
CID 82788019
7-amino-N-(5-hydroxypentyl)-N-methylheptanamide
CID 107199281
N-(5-aminopentyl)-3-ethoxy-N-methylpropanamide
CID 107206617
4-[6-aminohexanoyl(methyl)amino]butanoic acid
CID 61160590
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 107206665
N-(3-aminopropyl)-3-[bis(2-hydroxyethyl)amino]-N-methylpropanamide
CID 61244464
4-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
CID 107199292
N-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide
CID 55006991
3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60890804

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide?
The IUPAC name of N-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide (CID 107206525) is N-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide.
What is the SMILES notation for N-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide?
The canonical SMILES for N-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide is CN(CCCCCN)C(=O)CCC(F)(F)F.
What is the InChIKey of N-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide?
The InChIKey is RVGNGFUYZGZGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-15(8-4-2-3-7-14)9(16)5-6-10(11,12)13/h2-8,14H2,1H3.
What are the key properties of N-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide?
N-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide has a molecular weight of 240.27 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide is sourced from PubChem (CID 107206525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).