2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide

C14H28F3N3O — CID 64712180

IUPAC2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide
SMILESCCCNC(C)(CC(C)N(CCC)CC(F)(F)F)C(N)=O
InChIInChI=1S/C14H28F3N3O/c1-5-7-19-13(4,12(18)21)9-11(3)20(8-6-2)10-14(15,16)17/h11,19H,5-10H2,1-4H3,(H2,18,21)
InChIKeyWBTUGRANLOMQBP-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.28
Rot. Bonds10

About 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide

2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide (PubChem CID 64712180) has the molecular formula C14H28F3N3O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide
PubChem CID64712180
Molecular FormulaC14H28F3N3O
Molecular Weight311.39 g/mol
Exact Mass311.22
IUPAC Name2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide
SMILESCCCNC(C)(CC(C)N(CCC)CC(F)(F)F)C(N)=O
InChIInChI=1S/C14H28F3N3O/c1-5-7-19-13(4,12(18)21)9-11(3)20(8-6-2)10-14(15,16)17/h11,19H,5-10H2,1-4H3,(H2,18,21)
InChIKeyWBTUGRANLOMQBP-UHFFFAOYSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoate
CID 64709838
ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64710237
4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64705483
3-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63585782
4-[2-methoxyethyl(methyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64710690
2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide
CID 64711790
4-(dibutylamino)-2-(ethylamino)-2-methylpentanamide
CID 64726423
2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide
CID 64709561
2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide
CID 64712176
2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide
CID 64709010
4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide
CID 64710629
4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide
CID 64712177

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide?
The IUPAC name of 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide (CID 64712180) is 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide.
What is the SMILES notation for 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide?
The canonical SMILES for 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide is CCCNC(C)(CC(C)N(CCC)CC(F)(F)F)C(N)=O.
What is the InChIKey of 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide?
The InChIKey is WBTUGRANLOMQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3N3O/c1-5-7-19-13(4,12(18)21)9-11(3)20(8-6-2)10-14(15,16)17/h11,19H,5-10H2,1-4H3,(H2,18,21).
What are the key properties of 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide?
2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide has a molecular weight of 311.39 g/mol, XLogP of 2.28, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide is sourced from PubChem (CID 64712180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).