2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide

C12H25N3O — CID 61276217

IUPAC2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
SMILESCNCC(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C12H25N3O/c1-10(2)11(15-6-4-5-7-15)8-14-12(16)9-13-3/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyPERDBZHWFAOWGF-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.44
Rot. Bonds6

About 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide

2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide (PubChem CID 61276217) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
PubChem CID61276217
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
SMILESCNCC(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C12H25N3O/c1-10(2)11(15-6-4-5-7-15)8-14-12(16)9-13-3/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyPERDBZHWFAOWGF-UHFFFAOYSA-N
XLogP0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(3-methyl-2-piperidin-1-ylbutyl)butanamide
CID 110402825
2-(2-methoxyethylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
CID 79282670
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 61275431
N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 110402962
2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 62639167
3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid
CID 62964716
5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 82012268
3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 61276030
2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid
CID 103496866
2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobut-2-enoic acid
CID 76992850
2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
CID 61240833
N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-thiophen-2-ylacetamide
CID 110402982

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide?
The IUPAC name of 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide (CID 61276217) is 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide.
What is the SMILES notation for 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide?
The canonical SMILES for 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide is CNCC(=O)NCC(C(C)C)N1CCCC1.
What is the InChIKey of 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide?
The InChIKey is PERDBZHWFAOWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)11(15-6-4-5-7-15)8-14-12(16)9-13-3/h10-11,13H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide?
2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide is sourced from PubChem (CID 61276217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).