(2S)-N-[(2S)-1-amino-3-methyl-1-methyliminobutan-2-yl]-3-methyl-2-(methylamino)butanamide

C12H26N4O — CID 163632516

IUPAC(2S)-N-[(2S)-1-amino-3-methyl-1-methyliminobutan-2-yl]-3-methyl-2-(methylamino)butanamide
SMILESC/N=C(\N)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C
InChIInChI=1S/C12H26N4O/c1-7(2)9(11(13)15-6)16-12(17)10(14-5)8(3)4/h7-10,14H,1-6H3,(H2,13,15)(H,16,17)/t9-,10-/m0/s1
InChIKeyHXIZOWUSMKKGPT-UWVGGRQHSA-N
MW242.37 g/mol
LogP0.36
Rot. Bonds6

About (2S)-N-[(2S)-1-amino-3-methyl-1-methyliminobutan-2-yl]-3-methyl-2-(methylamino)butanamide

(2S)-N-[(2S)-1-amino-3-methyl-1-methyliminobutan-2-yl]-3-methyl-2-(methylamino)butanamide (PubChem CID 163632516) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-amino-3-methyl-1-methyliminobutan-2-yl]-3-methyl-2-(methylamino)butanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-amino-3-methyl-1-methyliminobutan-2-yl]-3-methyl-2-(methylamino)butanamide
PubChem CID163632516
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name(2S)-N-[(2S)-1-amino-3-methyl-1-methyliminobutan-2-yl]-3-methyl-2-(methylamino)butanamide
SMILESC/N=C(\N)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C
InChIInChI=1S/C12H26N4O/c1-7(2)9(11(13)15-6)16-12(17)10(14-5)8(3)4/h7-10,14H,1-6H3,(H2,13,15)(H,16,17)/t9-,10-/m0/s1
InChIKeyHXIZOWUSMKKGPT-UWVGGRQHSA-N
XLogP0.36
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2S)-N-[(2S)-1-amino-3-methyl-1-methyliminobutan-2-yl]-3-methyl-2-(methylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(3-amino-3-imino-propyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide
CID 515636
2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide
CID 139591703
(Leucylamino)-4-guanidinobutane
CID 54131144
(5R)-3-amino-5-(2-methylpropyl)-2,5-dihydro-1H-pyrazin-6-one
CID 130741711
2-Methyl-7-propan-2-yl-3,4a,5,7-tetrahydropteridine-4,6-dione
CID 145919099
(2S)-2-[[(2R)-2-acetamido-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanamide
CID 59095133
(2S)-5-(1-aminoethylideneamino)-2-(2-methylpropanoylamino)-N-[(2S)-3-oxobutan-2-yl]pentanamide
CID 60090208
N'-[3-[(2R,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propyl]propanimidamide
CID 68011954
2-Ethyl-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 70091245
N-[3-[(1-amino-3-methylbutylidene)amino]propyl]-2-methylbutanamide
CID 122598424
2-amino-N,3-dimethyl-N-[2-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-ylidene]amino]-2-oxoethyl]butanamide
CID 123721812
2-[[(2S)-1-amino-2-(dimethylamino)-3-methylbutylidene]amino]-N,N-dimethylacetamide
CID 126663191

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-amino-3-methyl-1-methyliminobutan-2-yl]-3-methyl-2-(methylamino)butanamide?
The IUPAC name of (2S)-N-[(2S)-1-amino-3-methyl-1-methyliminobutan-2-yl]-3-methyl-2-(methylamino)butanamide (CID 163632516) is (2S)-N-[(2S)-1-amino-3-methyl-1-methyliminobutan-2-yl]-3-methyl-2-(methylamino)butanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-amino-3-methyl-1-methyliminobutan-2-yl]-3-methyl-2-(methylamino)butanamide?
The canonical SMILES for (2S)-N-[(2S)-1-amino-3-methyl-1-methyliminobutan-2-yl]-3-methyl-2-(methylamino)butanamide is C/N=C(\N)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C.
What is the InChIKey of (2S)-N-[(2S)-1-amino-3-methyl-1-methyliminobutan-2-yl]-3-methyl-2-(methylamino)butanamide?
The InChIKey is HXIZOWUSMKKGPT-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H26N4O/c1-7(2)9(11(13)15-6)16-12(17)10(14-5)8(3)4/h7-10,14H,1-6H3,(H2,13,15)(H,16,17)/t9-,10-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-amino-3-methyl-1-methyliminobutan-2-yl]-3-methyl-2-(methylamino)butanamide?
(2S)-N-[(2S)-1-amino-3-methyl-1-methyliminobutan-2-yl]-3-methyl-2-(methylamino)butanamide has a molecular weight of 242.37 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-amino-3-methyl-1-methyliminobutan-2-yl]-3-methyl-2-(methylamino)butanamide is sourced from PubChem (CID 163632516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).