4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide

C14H30N4O — CID 66431436

IUPAC4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide
SMILESCN(C)C1CCN(C(CN)CC(=O)NC(C)(C)C)C1
InChIInChI=1S/C14H30N4O/c1-14(2,3)16-13(19)8-12(9-15)18-7-6-11(10-18)17(4)5/h11-12H,6-10,15H2,1-5H3,(H,16,19)
InChIKeyPPIMWBIYVIVORE-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.25
Rot. Bonds5

About 4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide

4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide (PubChem CID 66431436) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide
PubChem CID66431436
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide
SMILESCN(C)C1CCN(C(CN)CC(=O)NC(C)(C)C)C1
InChIInChI=1S/C14H30N4O/c1-14(2,3)16-13(19)8-12(9-15)18-7-6-11(10-18)17(4)5/h11-12H,6-10,15H2,1-5H3,(H,16,19)
InChIKeyPPIMWBIYVIVORE-UHFFFAOYSA-N
XLogP0.25
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide
CID 66426952
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-(1,4-thiazepan-4-yl)butanamide
CID 66431637
1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166510
4-amino-N-tert-butyl-3-(3,3,4-trimethylpiperazin-1-yl)butanamide
CID 66432051
4-amino-N-tert-butyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)butanamide
CID 102743220
3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
CID 64695225
N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115695099
4-amino-N-tert-butyl-3-(7,7-dimethyl-1,4-thiazepan-4-yl)butanamide
CID 107454007
4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide
CID 66430006
4-amino-N-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)butanamide
CID 66431643
1-(1-aminopentan-3-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166111

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide?
The IUPAC name of 4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide (CID 66431436) is 4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide.
What is the SMILES notation for 4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide?
The canonical SMILES for 4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide is CN(C)C1CCN(C(CN)CC(=O)NC(C)(C)C)C1.
What is the InChIKey of 4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide?
The InChIKey is PPIMWBIYVIVORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-14(2,3)16-13(19)8-12(9-15)18-7-6-11(10-18)17(4)5/h11-12H,6-10,15H2,1-5H3,(H,16,19).
What are the key properties of 4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide?
4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide has a molecular weight of 270.42 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 66431436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).