3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide

C9H19N3O — CID 116850731

IUPAC3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
SMILESCNC(=O)CC(N)C1CCN(C)C1
InChIInChI=1S/C9H19N3O/c1-11-9(13)5-8(10)7-3-4-12(2)6-7/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyMNLJINKSKAQCBQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.60
Rot. Bonds3

About 3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide

3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide (PubChem CID 116850731) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
PubChem CID116850731
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
SMILESCNC(=O)CC(N)C1CCN(C)C1
InChIInChI=1S/C9H19N3O/c1-11-9(13)5-8(10)7-3-4-12(2)6-7/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyMNLJINKSKAQCBQ-UHFFFAOYSA-N
XLogP-0.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,N-dimethyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850366
2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 116937646
1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine
CID 117237518
N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237125
N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237112
N'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 116933024
3-amino-4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butanoic acid
CID 116911919
5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one
CID 116940794
methyl 2-[amino-(1-methylpyrrolidin-3-yl)methyl]-3-methylbutanoate
CID 116946118
4-amino-3-(2,4-dimethyl-1,4-diazepan-1-yl)-N-methylbutanamide
CID 114086500
methyl 2-[cyclopropyl(methyl)amino]-2-(1-methylpyrrolidin-3-yl)acetate
CID 116857447
2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine
CID 164659550

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide?
The IUPAC name of 3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide (CID 116850731) is 3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide is CNC(=O)CC(N)C1CCN(C)C1.
What is the InChIKey of 3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide?
The InChIKey is MNLJINKSKAQCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11-9(13)5-8(10)7-3-4-12(2)6-7/h7-8H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of 3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide?
3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide has a molecular weight of 185.27 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 116850731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).