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

C12H25N3O — CID 115157048

IUPAC4-amino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
SMILESCN1CCC(CNC(=O)C(C)(C)CCN)C1
InChIInChI=1S/C12H25N3O/c1-12(2,5-6-13)11(16)14-8-10-4-7-15(3)9-10/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyNSACWEAIQOMPAD-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.43
Rot. Bonds5

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

4-amino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide (PubChem CID 115157048) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-amino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
PubChem CID115157048
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-amino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
SMILESCN1CCC(CNC(=O)C(C)(C)CCN)C1
InChIInChI=1S/C12H25N3O/c1-12(2,5-6-13)11(16)14-8-10-4-7-15(3)9-10/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyNSACWEAIQOMPAD-UHFFFAOYSA-N
XLogP0.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 115157046
2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61264835
2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide
CID 60856275
2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 60856927
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 76920813
2-amino-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119866874
4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide
CID 95212961
1-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119854626
N,N'-bis[(1-methylpyrrolidin-3-yl)methyl]-3-oxopentanediamide
CID 20664945
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 65465734
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide
CID 92632000

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide?
The IUPAC name of 4-amino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide (CID 115157048) is 4-amino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide.
What is the SMILES notation for 4-amino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide?
The canonical SMILES for 4-amino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide is CN1CCC(CNC(=O)C(C)(C)CCN)C1.
What is the InChIKey of 4-amino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide?
The InChIKey is NSACWEAIQOMPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,5-6-13)11(16)14-8-10-4-7-15(3)9-10/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of 4-amino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide?
4-amino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide has a molecular weight of 227.35 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide is sourced from PubChem (CID 115157048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).