2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide

C12H25N3O — CID 121226117

IUPAC2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide
SMILESCC(N)C(=O)N(C[C@@H]1CCCN1C)C(C)C
InChIInChI=1S/C12H25N3O/c1-9(2)15(12(16)10(3)13)8-11-6-5-7-14(11)4/h9-11H,5-8,13H2,1-4H3/t10?,11-/m0/s1
InChIKeyAILVBEINJVIWCI-DTIOYNMSSA-N
MW227.35 g/mol
LogP0.66
Rot. Bonds4

About 2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide

2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide (PubChem CID 121226117) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide
PubChem CID121226117
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide
SMILESCC(N)C(=O)N(C[C@@H]1CCCN1C)C(C)C
InChIInChI=1S/C12H25N3O/c1-9(2)15(12(16)10(3)13)8-11-6-5-7-14(11)4/h9-11H,5-8,13H2,1-4H3/t10?,11-/m0/s1
InChIKeyAILVBEINJVIWCI-DTIOYNMSSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylbutanamide
CID 66565957
2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107
(2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 66565907
(2S)-2-amino-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]propanamide
CID 96553417
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79312888
tert-butyl 2-[[[(2S)-2-aminopropanoyl]-propan-2-ylamino]methyl]piperidine-1-carboxylate
CID 66564130
(2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 79314315
N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine
CID 59904541
benzyl (2R)-2-[[[(2S)-2-aminopropanoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate
CID 96552692
2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide
CID 121226081
(2S)-2-amino-N,3-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]butanamide
CID 96553466
(2S)-2-amino-N,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 66565934

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide (CID 121226117) is 2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide is CC(N)C(=O)N(C[C@@H]1CCCN1C)C(C)C.
What is the InChIKey of 2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide?
The InChIKey is AILVBEINJVIWCI-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)15(12(16)10(3)13)8-11-6-5-7-14(11)4/h9-11H,5-8,13H2,1-4H3/t10?,11-/m0/s1.
What are the key properties of 2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide?
2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 121226117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).