2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide

C7H17N3O — CID 131227452

IUPAC2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)[C@H](C)CN
InChIInChI=1S/C7H17N3O/c1-6(4-8)10(3)5-7(11)9-2/h6H,4-5,8H2,1-3H3,(H,9,11)/t6-/m1/s1
InChIKeyPPQCHPWPBRYPBQ-ZCFIWIBFSA-N
MW159.23 g/mol
LogP-0.99
Rot. Bonds4

About 2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide

2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide (PubChem CID 131227452) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide
PubChem CID131227452
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)[C@H](C)CN
InChIInChI=1S/C7H17N3O/c1-6(4-8)10(3)5-7(11)9-2/h6H,4-5,8H2,1-3H3,(H,9,11)/t6-/m1/s1
InChIKeyPPQCHPWPBRYPBQ-ZCFIWIBFSA-N
XLogP-0.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide (CID 131227452) is 2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)[C@H](C)CN.
What is the InChIKey of 2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide?
The InChIKey is PPQCHPWPBRYPBQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H17N3O/c1-6(4-8)10(3)5-7(11)9-2/h6H,4-5,8H2,1-3H3,(H,9,11)/t6-/m1/s1.
What are the key properties of 2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide?
2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide has a molecular weight of 159.23 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 131227452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).