N-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide

C13H27N3O — CID 122080673

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide
SMILESCC(C)CC(C)(CN)NC(=O)CC1CCCN1
InChIInChI=1S/C13H27N3O/c1-10(2)8-13(3,9-14)16-12(17)7-11-5-4-6-15-11/h10-11,15H,4-9,14H2,1-3H3,(H,16,17)
InChIKeyBNSJNLZTBZEVFY-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.01
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide (PubChem CID 122080673) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide
PubChem CID122080673
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide
SMILESCC(C)CC(C)(CN)NC(=O)CC1CCCN1
InChIInChI=1S/C13H27N3O/c1-10(2)8-13(3,9-14)16-12(17)7-11-5-4-6-15-11/h10-11,15H,4-9,14H2,1-3H3,(H,16,17)
InChIKeyBNSJNLZTBZEVFY-UHFFFAOYSA-N
XLogP1.01
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 122080717
N-(3-methylpentan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 103811397
N-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide
CID 122080556
2-pyrrolidin-2-yl-N-(2,2,4-trimethylpentyl)acetamide
CID 115160242
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide
CID 83138084
N-tert-butyl-2-piperidin-2-ylacetamide
CID 43151334
N-(2-methylpentan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 115738895
ethyl 2-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate
CID 119772513
N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide
CID 112701709
N-(1-amino-2,4-dimethylpentan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81486220
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide (CID 122080673) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide is CC(C)CC(C)(CN)NC(=O)CC1CCCN1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is BNSJNLZTBZEVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)8-13(3,9-14)16-12(17)7-11-5-4-6-15-11/h10-11,15H,4-9,14H2,1-3H3,(H,16,17).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 241.38 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 122080673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).