N-(3-amino-4-methylpentyl)-3,3,3-trifluoro-N-methylpropanamide

C10H19F3N2O — CID 81485207

IUPACN-(3-amino-4-methylpentyl)-3,3,3-trifluoro-N-methylpropanamide
SMILESCC(C)C(N)CCN(C)C(=O)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-7(2)8(14)4-5-15(3)9(16)6-10(11,12)13/h7-8H,4-6,14H2,1-3H3
InChIKeyRGTVXZZZLFAHKM-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.77
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-3,3,3-trifluoro-N-methylpropanamide

N-(3-amino-4-methylpentyl)-3,3,3-trifluoro-N-methylpropanamide (PubChem CID 81485207) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3,3,3-trifluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3,3,3-trifluoro-N-methylpropanamide
PubChem CID81485207
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN-(3-amino-4-methylpentyl)-3,3,3-trifluoro-N-methylpropanamide
SMILESCC(C)C(N)CCN(C)C(=O)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-7(2)8(14)4-5-15(3)9(16)6-10(11,12)13/h7-8H,4-6,14H2,1-3H3
InChIKeyRGTVXZZZLFAHKM-UHFFFAOYSA-N
XLogP1.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-N,2-dimethylpropanamide
CID 58326113
N-(1,5-Dimethylhexyl)trifluoroacetamide
CID 11564832
2-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 153399082
1-(4-Amino-3-methylpiperidin-1-yl)propan-1-one hydrochloride
CID 71758334
3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide
CID 51079646
N-(3-amino-4-methylpentyl)-N-methylbutanamide
CID 81485295
2,2,2-trifluoro-N-[(2R)-4-methylpentan-2-yl]acetamide
CID 14598682
2,2,2-trifluoro-N-[(2S)-4-methylpentan-2-yl]acetamide
CID 14598683
2,2,2-trifluoro-N-(1-methyl-2-propan-2-ylpyrrolidin-3-yl)acetamide
CID 20645448
N-(5-amino-1,1-difluoropentan-2-yl)propanamide
CID 22752181
(3S)-4-methyl-N-(3-methylbutyl)-3-[(2,2,2-trifluoroacetyl)amino]pentanamide
CID 57003791
N-[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]cyclopropanecarboxamide
CID 57580294

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3,3,3-trifluoro-N-methylpropanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-3,3,3-trifluoro-N-methylpropanamide (CID 81485207) is N-(3-amino-4-methylpentyl)-3,3,3-trifluoro-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3,3,3-trifluoro-N-methylpropanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3,3,3-trifluoro-N-methylpropanamide is CC(C)C(N)CCN(C)C(=O)CC(F)(F)F.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3,3,3-trifluoro-N-methylpropanamide?
The InChIKey is RGTVXZZZLFAHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-7(2)8(14)4-5-15(3)9(16)6-10(11,12)13/h7-8H,4-6,14H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-3,3,3-trifluoro-N-methylpropanamide?
N-(3-amino-4-methylpentyl)-3,3,3-trifluoro-N-methylpropanamide has a molecular weight of 240.27 g/mol, XLogP of 1.77, 5 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)-3,3,3-trifluoro-N-methylpropanamide is sourced from PubChem (CID 81485207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).