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

C10H22N4O2 — CID 155266734

IUPAC2-amino-3-methyl-N-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]butanamide
SMILESCNC(=O)C(C)NCNC(=O)C(N)C(C)C
InChIInChI=1S/C10H22N4O2/c1-6(2)8(11)10(16)14-5-13-7(3)9(15)12-4/h6-8,13H,5,11H2,1-4H3,(H,12,15)(H,14,16)
InChIKeyKLCTUYGSQTVZFY-UHFFFAOYSA-N
MW230.31 g/mol
LogP-1.23
Rot. Bonds6

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

2-amino-3-methyl-N-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]butanamide (PubChem CID 155266734) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]butanamide
PubChem CID155266734
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name2-amino-3-methyl-N-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]butanamide
SMILESCNC(=O)C(C)NCNC(=O)C(N)C(C)C
InChIInChI=1S/C10H22N4O2/c1-6(2)8(11)10(16)14-5-13-7(3)9(15)12-4/h6-8,13H,5,11H2,1-4H3,(H,12,15)(H,14,16)
InChIKeyKLCTUYGSQTVZFY-UHFFFAOYSA-N
XLogP-1.23
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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

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Related Compounds

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US8722896, N-[(2S)-2-Aminopropanoyl]-(2S)-valylamide
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AC1Lgxvo
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(5R)-5-(propan-2-yl)imidazolidine-2,4-dione
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L-alanyl-L-valinamide
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(2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 10537384
(2S)-2-(tert-butylcarbamoylamino)-N-hydroxy-3-methylbutanamide
CID 50913274
US8722896, N-[(2S)-2-Aminopropanoyl]-(2R)-valylamide
CID 58080472
(2S)-2-amino-N-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethyl]-3-methylbutanamide
CID 10782706
(2s)-1-{[(2s)-1-Amino-3-Methyl-1-Oxobutan-2-Yl]amino}-1-Oxopropan-2-Aminium
CID 7019980

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]butanamide?
The IUPAC name of 2-amino-3-methyl-N-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]butanamide (CID 155266734) is 2-amino-3-methyl-N-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]butanamide?
The canonical SMILES for 2-amino-3-methyl-N-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]butanamide is CNC(=O)C(C)NCNC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-3-methyl-N-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]butanamide?
The InChIKey is KLCTUYGSQTVZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-6(2)8(11)10(16)14-5-13-7(3)9(15)12-4/h6-8,13H,5,11H2,1-4H3,(H,12,15)(H,14,16).
What are the key properties of 2-amino-3-methyl-N-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]butanamide?
2-amino-3-methyl-N-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]butanamide has a molecular weight of 230.31 g/mol, XLogP of -1.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]butanamide is sourced from PubChem (CID 155266734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).