2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide

C13H27N3O — CID 64725372

IUPAC2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide
SMILESCC(C)NC(C)(CC(C)N1CCCC1)C(N)=O
InChIInChI=1S/C13H27N3O/c1-10(2)15-13(4,12(14)17)9-11(3)16-7-5-6-8-16/h10-11,15H,5-9H2,1-4H3,(H2,14,17)
InChIKeyWDYHVAUOKIBKKE-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.10
Rot. Bonds6

About 2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide

2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide (PubChem CID 64725372) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide
PubChem CID64725372
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide
SMILESCC(C)NC(C)(CC(C)N1CCCC1)C(N)=O
InChIInChI=1S/C13H27N3O/c1-10(2)15-13(4,12(14)17)9-11(3)16-7-5-6-8-16/h10-11,15H,5-9H2,1-4H3,(H2,14,17)
InChIKeyWDYHVAUOKIBKKE-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide
CID 64726163
4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64709380
4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64710220
4-(2,2-dimethylmorpholin-4-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64710389
2-amino-2-methyl-4-pyrrolidin-1-ylpentanamide
CID 64726767
4-(2-ethylmorpholin-4-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64711142
2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide
CID 64704813
ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate
CID 64725967
4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64726747
ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate
CID 64727597
4-(diethylamino)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64726179
4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanamide
CID 64705176

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide (CID 64725372) is 2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide is CC(C)NC(C)(CC(C)N1CCCC1)C(N)=O.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide?
The InChIKey is WDYHVAUOKIBKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)15-13(4,12(14)17)9-11(3)16-7-5-6-8-16/h10-11,15H,5-9H2,1-4H3,(H2,14,17).
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide?
2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide has a molecular weight of 241.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide is sourced from PubChem (CID 64725372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).