2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide

C12H25N3O — CID 115152814

IUPAC2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
SMILESCN1CCC(CCN(C)C(=O)C(C)(C)N)C1
InChIInChI=1S/C12H25N3O/c1-12(2,13)11(16)15(4)8-6-10-5-7-14(3)9-10/h10H,5-9,13H2,1-4H3
InChIKeyVEYQLKXQACMBOP-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.52
Rot. Bonds4

About 2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide

2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide (PubChem CID 115152814) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
PubChem CID115152814
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
SMILESCN1CCC(CCN(C)C(=O)C(C)(C)N)C1
InChIInChI=1S/C12H25N3O/c1-12(2,13)11(16)15(4)8-6-10-5-7-14(3)9-10/h10H,5-9,13H2,1-4H3
InChIKeyVEYQLKXQACMBOP-UHFFFAOYSA-N
XLogP0.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,2-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 115152812
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]carbamoyl chloride
CID 115195122
4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115157150
1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide
CID 115172736
ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate
CID 115138668
2,2-dimethyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115136698
1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115169549
2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol
CID 115133719
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 165116548
2-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 61266425
N-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide
CID 115183166
2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide
CID 63273840

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide?
The IUPAC name of 2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide (CID 115152814) is 2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide is CN1CCC(CCN(C)C(=O)C(C)(C)N)C1.
What is the InChIKey of 2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide?
The InChIKey is VEYQLKXQACMBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,13)11(16)15(4)8-6-10-5-7-14(3)9-10/h10H,5-9,13H2,1-4H3.
What are the key properties of 2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide?
2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide has a molecular weight of 227.35 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide is sourced from PubChem (CID 115152814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).