3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide

C11H23N3O — CID 115154624

IUPAC3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
SMILESCN1CCC(N(C)C(=O)C(C)(C)CN)C1
InChIInChI=1S/C11H23N3O/c1-11(2,8-12)10(15)14(4)9-5-6-13(3)7-9/h9H,5-8,12H2,1-4H3
InChIKeyAYLRBRQGUUBDSL-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.13
Rot. Bonds3

About 3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide

3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide (PubChem CID 115154624) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
PubChem CID115154624
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
SMILESCN1CCC(N(C)C(=O)C(C)(C)CN)C1
InChIInChI=1S/C11H23N3O/c1-11(2,8-12)10(15)14(4)9-5-6-13(3)7-9/h9H,5-8,12H2,1-4H3
InChIKeyAYLRBRQGUUBDSL-UHFFFAOYSA-N
XLogP0.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide?
The IUPAC name of 3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide (CID 115154624) is 3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide is CN1CCC(N(C)C(=O)C(C)(C)CN)C1.
What is the InChIKey of 3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide?
The InChIKey is AYLRBRQGUUBDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2,8-12)10(15)14(4)9-5-6-13(3)7-9/h9H,5-8,12H2,1-4H3.
What are the key properties of 3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide?
3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide has a molecular weight of 213.32 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 115154624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).