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

C14H29N3O — CID 115156200

IUPAC4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
SMILESCC(CCN)C(=O)NCC(C)(C)C1CCN(C)C1
InChIInChI=1S/C14H29N3O/c1-11(5-7-15)13(18)16-10-14(2,3)12-6-8-17(4)9-12/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyZJJBATGISQOTKD-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.07
Rot. Bonds6

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

4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide (PubChem CID 115156200) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
PubChem CID115156200
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
SMILESCC(CCN)C(=O)NCC(C)(C)C1CCN(C)C1
InChIInChI=1S/C14H29N3O/c1-11(5-7-15)13(18)16-10-14(2,3)12-6-8-17(4)9-12/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyZJJBATGISQOTKD-UHFFFAOYSA-N
XLogP1.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115189024
3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115155136
2-methyl-2-(methylamino)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]propanamide
CID 115165880
1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide
CID 115172849
2-(cyclopropylamino)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115158616
N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide
CID 115171658
N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]acetamide
CID 115191508
2-methyl-3-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]propanoic acid
CID 115219677

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide?
The IUPAC name of 4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide (CID 115156200) is 4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide?
The canonical SMILES for 4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide is CC(CCN)C(=O)NCC(C)(C)C1CCN(C)C1.
What is the InChIKey of 4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide?
The InChIKey is ZJJBATGISQOTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(5-7-15)13(18)16-10-14(2,3)12-6-8-17(4)9-12/h11-12H,5-10,15H2,1-4H3,(H,16,18).
What are the key properties of 4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide?
4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide has a molecular weight of 255.41 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide is sourced from PubChem (CID 115156200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).