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

C14H29N3O — CID 115155136

IUPAC3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
SMILESCN1CCC(C(C)(C)CNC(=O)CC(C)(C)N)C1
InChIInChI=1S/C14H29N3O/c1-13(2,11-6-7-17(5)9-11)10-16-12(18)8-14(3,4)15/h11H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyWDPNOQLOYXMVSH-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.21
Rot. Bonds5

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

3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide (PubChem CID 115155136) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
PubChem CID115155136
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
SMILESCN1CCC(C(C)(C)CNC(=O)CC(C)(C)N)C1
InChIInChI=1S/C14H29N3O/c1-13(2,11-6-7-17(5)9-11)10-16-12(18)8-14(3,4)15/h11H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyWDPNOQLOYXMVSH-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115157486
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
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
3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115740928
4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115156200
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
N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]acetamide
CID 115191508

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide (CID 115155136) is 3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide is CN1CCC(C(C)(C)CNC(=O)CC(C)(C)N)C1.
What is the InChIKey of 3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide?
The InChIKey is WDPNOQLOYXMVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-13(2,11-6-7-17(5)9-11)10-16-12(18)8-14(3,4)15/h11H,6-10,15H2,1-5H3,(H,16,18).
What are the key properties of 3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide?
3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide has a molecular weight of 255.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide is sourced from PubChem (CID 115155136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).