2-[(5,5-dimethylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetamide

C12H25N3O — CID 82015032

IUPAC2-[(5,5-dimethylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)C1CNC(C)(C)C1
InChIInChI=1S/C12H25N3O/c1-9(2)7-15(8-11(13)16)10-5-12(3,4)14-6-10/h9-10,14H,5-8H2,1-4H3,(H2,13,16)
InChIKeyNAMDBSJKURFCNC-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds5

About 2-[(5,5-dimethylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetamide

2-[(5,5-dimethylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetamide (PubChem CID 82015032) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(5,5-dimethylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(5,5-dimethylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetamide
PubChem CID82015032
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[(5,5-dimethylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)C1CNC(C)(C)C1
InChIInChI=1S/C12H25N3O/c1-9(2)7-15(8-11(13)16)10-5-12(3,4)14-6-10/h9-10,14H,5-8H2,1-4H3,(H2,13,16)
InChIKeyNAMDBSJKURFCNC-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-[(5,5-dimethylpyrrolidin-3-yl)-propan-2-ylamino]acetamide
CID 82013214
2-[butyl-(5,5-dimethylpyrrolidin-3-yl)amino]acetamide
CID 82014927
5,5-dimethyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine
CID 82013364
2-[2-methylpropyl-(4-methylpyrrolidin-3-yl)amino]acetamide
CID 81459632
N-cyclopentyl-5,5-dimethyl-N-(2-methylpropyl)pyrrolidin-3-amine
CID 82014472
(3S)-5,5-dimethylpyrrolidine-3-carboxamide
CID 129142107
3-[cyclopentyl(2-methylpropyl)amino]propanamide
CID 78983793
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980154
1-amino-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxamide
CID 79649570
N-(2-amino-2-oxoethyl)-4-methyl-N-piperidin-4-ylpentanamide
CID 54923747
N-(2-ethoxyethyl)-N-ethyl-5,5-dimethylpyrrolidin-3-amine
CID 82015038

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(5,5-dimethylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetamide (CID 82015032) is 2-[(5,5-dimethylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(5,5-dimethylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(5,5-dimethylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)C1CNC(C)(C)C1.
What is the InChIKey of 2-[(5,5-dimethylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetamide?
The InChIKey is NAMDBSJKURFCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)7-15(8-11(13)16)10-5-12(3,4)14-6-10/h9-10,14H,5-8H2,1-4H3,(H2,13,16).
What are the key properties of 2-[(5,5-dimethylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetamide?
2-[(5,5-dimethylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 82015032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).