2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide

C12H26N4O — CID 62545950

IUPAC2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide
SMILESCN1CCCC(N(C)CCC(C)(N)C(N)=O)C1
InChIInChI=1S/C12H26N4O/c1-12(14,11(13)17)6-8-16(3)10-5-4-7-15(2)9-10/h10H,4-9,14H2,1-3H3,(H2,13,17)
InChIKeyGOUNJTCJMXLQSE-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.39
Rot. Bonds5

About 2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide

2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide (PubChem CID 62545950) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide.

Molecular Properties

Compound Name2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide
PubChem CID62545950
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide
SMILESCN1CCCC(N(C)CCC(C)(N)C(N)=O)C1
InChIInChI=1S/C12H26N4O/c1-12(14,11(13)17)6-8-16(3)10-5-4-7-15(2)9-10/h10H,4-9,14H2,1-3H3,(H2,13,17)
InChIKeyGOUNJTCJMXLQSE-UHFFFAOYSA-N
XLogP-0.39
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
2-amino-2-methyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanamide
CID 63236966
ethyl 3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
CID 62546082
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide
CID 115156994
N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide
CID 55084848
2-cyclopropyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanamide
CID 63925394
methyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate
CID 63054552
2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62900097
N-[2-(4-aminopiperidin-1-yl)ethyl]-N,1-dimethylpiperidin-3-amine
CID 79327766
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545536

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide?
The IUPAC name of 2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide (CID 62545950) is 2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide.
What is the SMILES notation for 2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide?
The canonical SMILES for 2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide is CN1CCCC(N(C)CCC(C)(N)C(N)=O)C1.
What is the InChIKey of 2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide?
The InChIKey is GOUNJTCJMXLQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-12(14,11(13)17)6-8-16(3)10-5-4-7-15(2)9-10/h10H,4-9,14H2,1-3H3,(H2,13,17).
What are the key properties of 2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide?
2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide has a molecular weight of 242.37 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide is sourced from PubChem (CID 62545950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).