4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide

C12H25N3O2 — CID 103812844

IUPAC4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
SMILESCNC(=O)C(C)CN(C)C(=O)CCC(C)(C)N
InChIInChI=1S/C12H25N3O2/c1-9(11(17)14-4)8-15(5)10(16)6-7-12(2,3)13/h9H,6-8,13H2,1-5H3,(H,14,17)
InChIKeyWNJXXWWYQPSGNU-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.34
Rot. Bonds6

About 4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide

4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide (PubChem CID 103812844) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide.

Molecular Properties

Compound Name4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
PubChem CID103812844
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
SMILESCNC(=O)C(C)CN(C)C(=O)CCC(C)(C)N
InChIInChI=1S/C12H25N3O2/c1-9(11(17)14-4)8-15(5)10(16)6-7-12(2,3)13/h9H,6-8,13H2,1-5H3,(H,14,17)
InChIKeyWNJXXWWYQPSGNU-UHFFFAOYSA-N
XLogP0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106812542
7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide
CID 103812823
3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide
CID 103722241
3-amino-N,2,2-trimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]propanamide
CID 103812840
N,2-dimethyl-3-[methyl-[2-(methylamino)acetyl]amino]propanamide
CID 103812841
3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 106915366
N,2-dimethyl-3-[methyl-[2-methyl-2-(methylamino)propanoyl]amino]propanamide
CID 106915340
(3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide
CID 106915323
3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]-methylamino]-N,2-dimethylpropanamide
CID 106915392
N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide
CID 106915065
(2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 119818699
(2S)-N,2,4,4-tetramethylpentanamide
CID 58247049

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide?
The IUPAC name of 4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide (CID 103812844) is 4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide.
What is the SMILES notation for 4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide?
The canonical SMILES for 4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide is CNC(=O)C(C)CN(C)C(=O)CCC(C)(C)N.
What is the InChIKey of 4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide?
The InChIKey is WNJXXWWYQPSGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(11(17)14-4)8-15(5)10(16)6-7-12(2,3)13/h9H,6-8,13H2,1-5H3,(H,14,17).
What are the key properties of 4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide?
4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide has a molecular weight of 243.35 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide is sourced from PubChem (CID 103812844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).