4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide

C14H29N3O — CID 79184110

IUPAC4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide
SMILESCCNC(C)(CC(C)N1CC(C)C(C)C1)C(N)=O
InChIInChI=1S/C14H29N3O/c1-6-16-14(5,13(15)18)7-12(4)17-8-10(2)11(3)9-17/h10-12,16H,6-9H2,1-5H3,(H2,15,18)
InChIKeyHAVMUZYWTPKRDL-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.21
Rot. Bonds6

About 4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide

4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide (PubChem CID 79184110) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide.

Molecular Properties

Compound Name4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide
PubChem CID79184110
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide
SMILESCCNC(C)(CC(C)N1CC(C)C(C)C1)C(N)=O
InChIInChI=1S/C14H29N3O/c1-6-16-14(5,13(15)18)7-12(4)17-8-10(2)11(3)9-17/h10-12,16H,6-9H2,1-5H3,(H2,15,18)
InChIKeyHAVMUZYWTPKRDL-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-2-methyl-4-(4-propylpiperidin-1-yl)pentanamide
CID 64703137
4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-methylpentanamide
CID 64709984
2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentanamide
CID 104960286
ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate
CID 64727965
ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate
CID 64727597
2-(ethylamino)-2-methyl-4-[methyl(pentan-3-yl)amino]pentanamide
CID 64711729
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanamide
CID 64704195
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide
CID 115561436
2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide
CID 64725372
4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 64711857
methyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate
CID 114596468
2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide
CID 64704813

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide?
The IUPAC name of 4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide (CID 79184110) is 4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide.
What is the SMILES notation for 4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide?
The canonical SMILES for 4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide is CCNC(C)(CC(C)N1CC(C)C(C)C1)C(N)=O.
What is the InChIKey of 4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide?
The InChIKey is HAVMUZYWTPKRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-6-16-14(5,13(15)18)7-12(4)17-8-10(2)11(3)9-17/h10-12,16H,6-9H2,1-5H3,(H2,15,18).
What are the key properties of 4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide?
4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide has a molecular weight of 255.41 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide is sourced from PubChem (CID 79184110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).