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

C13H27N3O — CID 115157046

IUPAC4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
SMILESCN1CCC(CNC(=O)C(C)(C)CCN)CC1
InChIInChI=1S/C13H27N3O/c1-13(2,6-7-14)12(17)15-10-11-4-8-16(3)9-5-11/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyLSKKMYKWMMATJH-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.82
Rot. Bonds5

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

4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide (PubChem CID 115157046) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
PubChem CID115157046
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
SMILESCN1CCC(CNC(=O)C(C)(C)CCN)CC1
InChIInChI=1S/C13H27N3O/c1-13(2,6-7-14)12(17)15-10-11-4-8-16(3)9-5-11/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyLSKKMYKWMMATJH-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
CID 115157048
2-amino-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119866874
2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61264835
1-(2-aminoethyl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 117234697
4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115157150
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
N-(cyclopropylmethyl)-2,2-dimethylbutanamide
CID 89142508
N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605397
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 65465788
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 76920813

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
The IUPAC name of 4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide (CID 115157046) is 4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide.
What is the SMILES notation for 4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
The canonical SMILES for 4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide is CN1CCC(CNC(=O)C(C)(C)CCN)CC1.
What is the InChIKey of 4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
The InChIKey is LSKKMYKWMMATJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2,6-7-14)12(17)15-10-11-4-8-16(3)9-5-11/h11H,4-10,14H2,1-3H3,(H,15,17).
What are the key properties of 4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.82, 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-methylpiperidin-4-yl)methyl]butanamide is sourced from PubChem (CID 115157046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).