4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide

C15H31N3O — CID 115157486

IUPAC4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
SMILESCN1CCC(C(C)(C)CNC(=O)CC(C)(C)CN)C1
InChIInChI=1S/C15H31N3O/c1-14(2,10-16)8-13(19)17-11-15(3,4)12-6-7-18(5)9-12/h12H,6-11,16H2,1-5H3,(H,17,19)
InChIKeyMLWGSXHYQOHIKQ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.46
Rot. Bonds6

About 4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide

4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide (PubChem CID 115157486) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide.

Molecular Properties

Compound Name4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
PubChem CID115157486
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
SMILESCN1CCC(C(C)(C)CNC(=O)CC(C)(C)CN)C1
InChIInChI=1S/C15H31N3O/c1-14(2,10-16)8-13(19)17-11-15(3,4)12-6-7-18(5)9-12/h12H,6-11,16H2,1-5H3,(H,17,19)
InChIKeyMLWGSXHYQOHIKQ-UHFFFAOYSA-N
XLogP1.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115155136
2-hydroxy-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115140342
4-amino-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]pentanamide
CID 115156862
N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115191509
2-(cyclopropylamino)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115158616
4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115156200
4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 115157360
1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide
CID 115172849
2-methyl-2-(methylamino)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]propanamide
CID 115165880
N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide
CID 115271090
N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide
CID 115171658
2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
CID 115162294

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide?
The IUPAC name of 4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide (CID 115157486) is 4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide.
What is the SMILES notation for 4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide?
The canonical SMILES for 4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide is CN1CCC(C(C)(C)CNC(=O)CC(C)(C)CN)C1.
What is the InChIKey of 4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide?
The InChIKey is MLWGSXHYQOHIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-14(2,10-16)8-13(19)17-11-15(3,4)12-6-7-18(5)9-12/h12H,6-11,16H2,1-5H3,(H,17,19).
What are the key properties of 4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide?
4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide has a molecular weight of 269.43 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide is sourced from PubChem (CID 115157486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).