2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide

C11H23N3O2 — CID 60939070

IUPAC2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide
SMILESCC(C)CC(C)N(C)C(=O)C(N)CC(N)=O
InChIInChI=1S/C11H23N3O2/c1-7(2)5-8(3)14(4)11(16)9(12)6-10(13)15/h7-9H,5-6,12H2,1-4H3,(H2,13,15)
InChIKeyWBYBXRVEPDHJJT-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.08
Rot. Bonds6

About 2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide

2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide (PubChem CID 60939070) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide
PubChem CID60939070
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide
SMILESCC(C)CC(C)N(C)C(=O)C(N)CC(N)=O
InChIInChI=1S/C11H23N3O2/c1-7(2)5-8(3)14(4)11(16)9(12)6-10(13)15/h7-9H,5-6,12H2,1-4H3,(H2,13,15)
InChIKeyWBYBXRVEPDHJJT-UHFFFAOYSA-N
XLogP0.08
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide
CID 61165244
N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]propanamide
CID 153298886
(2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide
CID 104551700
(2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide
CID 78985610
4-amino-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 55000358
(2S)-4-amino-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 55231129
2-(aminomethyl)-N,4,4-trimethyl-N-(4-methylpentan-2-yl)pentanamide
CID 107471541
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-methyl-N-(4-methylpentan-2-yl)propanamide
CID 61165243
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide
CID 61154178
2-[(2,4-diamino-4-oxobutanoyl)-methylamino]acetic acid
CID 61157104
4-amino-N,3-dimethyl-N-(4-methylpentan-2-yl)butanamide
CID 81086981
5-methyl-3-(2-methylpropyl)hexanamide
CID 87709322

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide?
The IUPAC name of 2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide (CID 60939070) is 2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide.
What is the SMILES notation for 2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide?
The canonical SMILES for 2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide is CC(C)CC(C)N(C)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide?
The InChIKey is WBYBXRVEPDHJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-7(2)5-8(3)14(4)11(16)9(12)6-10(13)15/h7-9H,5-6,12H2,1-4H3,(H2,13,15).
What are the key properties of 2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide?
2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide has a molecular weight of 229.32 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide is sourced from PubChem (CID 60939070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).