2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide

C12H25N3O2 — CID 112738158

IUPAC2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide
SMILESCCC(C)(NC(=O)C(CN)CC(C)C)C(N)=O
InChIInChI=1S/C12H25N3O2/c1-5-12(4,11(14)17)15-10(16)9(7-13)6-8(2)3/h8-9H,5-7,13H2,1-4H3,(H2,14,17)(H,15,16)
InChIKeyKGKRUHKKDXMDDH-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.38
Rot. Bonds7

About 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide

2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide (PubChem CID 112738158) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide
PubChem CID112738158
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide
SMILESCCC(C)(NC(=O)C(CN)CC(C)C)C(N)=O
InChIInChI=1S/C12H25N3O2/c1-5-12(4,11(14)17)15-10(16)9(7-13)6-8(2)3/h8-9H,5-7,13H2,1-4H3,(H2,14,17)(H,15,16)
InChIKeyKGKRUHKKDXMDDH-UHFFFAOYSA-N
XLogP0.38
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide
CID 114010603
(2R)-2-[[(2R)-2,4-dimethylpentyl]amino]-2-methylbutanamide
CID 124873038
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide
CID 115739679
2-[[3-(aminomethyl)-5-methylhexanoyl]amino]-2-methylbutanoic acid
CID 79798556
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide
CID 82984485
2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide
CID 113410027
ethyl (2S)-2-(aminomethyl)-4-methylpentanoate
CID 94397761
ethyl 2-(aminomethyl)-4-methylpentanoate
CID 16641205
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylpentanamide
CID 163254959
2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-4-methylpentanamide
CID 113266963
2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide
CID 115738674
2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide
CID 115739021

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide (CID 112738158) is 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide is CCC(C)(NC(=O)C(CN)CC(C)C)C(N)=O.
What is the InChIKey of 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide?
The InChIKey is KGKRUHKKDXMDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-12(4,11(14)17)15-10(16)9(7-13)6-8(2)3/h8-9H,5-7,13H2,1-4H3,(H2,14,17)(H,15,16).
What are the key properties of 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide?
2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide has a molecular weight of 243.35 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide is sourced from PubChem (CID 112738158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).