4-amino-N-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)butanamide

C14H29N3O — CID 66431643

IUPAC4-amino-N-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)butanamide
SMILESCC(C)(C)NC(=O)CC(CN)N1CCCC1(C)C
InChIInChI=1S/C14H29N3O/c1-13(2,3)16-12(18)9-11(10-15)17-8-6-7-14(17,4)5/h11H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyLSVHYMBQZYMTAV-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.49
Rot. Bonds4

About 4-amino-N-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)butanamide

4-amino-N-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)butanamide (PubChem CID 66431643) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)butanamide
PubChem CID66431643
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-amino-N-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)butanamide
SMILESCC(C)(C)NC(=O)CC(CN)N1CCCC1(C)C
InChIInChI=1S/C14H29N3O/c1-13(2,3)16-12(18)9-11(10-15)17-8-6-7-14(17,4)5/h11H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyLSVHYMBQZYMTAV-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-tert-butyl-3-(3,3,4-trimethylpiperazin-1-yl)butanamide
CID 66432051
4-amino-N-tert-butyl-3-(7,7-dimethyl-1,4-thiazepan-4-yl)butanamide
CID 107454007
4-amino-N-tert-butyl-3-(1,4-thiazepan-4-yl)butanamide
CID 66431637
4-amino-N-tert-butyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)butanamide
CID 102743220
4-amino-3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-tert-butylbutanamide
CID 66431026
4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide
CID 66431436
3-amino-2-(2,2-dimethylpyrrolidin-1-yl)propanoic acid
CID 64695632
3-(2,2-dimethylpyrrolidin-1-yl)butanehydrazide
CID 63585215
4-amino-N-tert-butyl-3-methylbutanamide
CID 81071972
4-amino-N-tert-butyl-3-(5-ethyl-2-methylmorpholin-4-yl)butanamide
CID 66432044
4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide
CID 105414000
4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide
CID 66427408

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)butanamide?
The IUPAC name of 4-amino-N-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)butanamide (CID 66431643) is 4-amino-N-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for 4-amino-N-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)butanamide?
The canonical SMILES for 4-amino-N-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)butanamide is CC(C)(C)NC(=O)CC(CN)N1CCCC1(C)C.
What is the InChIKey of 4-amino-N-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)butanamide?
The InChIKey is LSVHYMBQZYMTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-13(2,3)16-12(18)9-11(10-15)17-8-6-7-14(17,4)5/h11H,6-10,15H2,1-5H3,(H,16,18).
What are the key properties of 4-amino-N-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)butanamide?
4-amino-N-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)butanamide has a molecular weight of 255.41 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 66431643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).