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

C12H25N3O — CID 65269836

IUPAC3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide
SMILESCN1CCC(NC(=O)C(C)(C)C(C)(C)N)C1
InChIInChI=1S/C12H25N3O/c1-11(2,12(3,4)13)10(16)14-9-6-7-15(5)8-9/h9H,6-8,13H2,1-5H3,(H,14,16)
InChIKeyAMHPEDHFRRIXOT-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds3

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

3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide (PubChem CID 65269836) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide
PubChem CID65269836
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide
SMILESCN1CCC(NC(=O)C(C)(C)C(C)(C)N)C1
InChIInChI=1S/C12H25N3O/c1-11(2,12(3,4)13)10(16)14-9-6-7-15(5)8-9/h9H,6-8,13H2,1-5H3,(H,14,16)
InChIKeyAMHPEDHFRRIXOT-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 58679843
2-amino-2-ethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 79814600
3-amino-N-(1,1-dioxothian-4-yl)-2,2,3-trimethylbutanamide
CID 65264497
2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide
CID 103733776
(2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 61465199
2-amino-2-methyl-N-(1-methylpiperidin-3-yl)pentanamide
CID 61212019
2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 121226101
2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 79797253
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
1-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 131018352
1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea
CID 18722887
(2R)-2-hydroxy-N-(1-methylpyrrolidin-3-yl)propanamide
CID 130918497

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide (CID 65269836) is 3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide is CN1CCC(NC(=O)C(C)(C)C(C)(C)N)C1.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide?
The InChIKey is AMHPEDHFRRIXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(2,12(3,4)13)10(16)14-9-6-7-15(5)8-9/h9H,6-8,13H2,1-5H3,(H,14,16).
What are the key properties of 3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide?
3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide is sourced from PubChem (CID 65269836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).