4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide

C11H23N3O — CID 63055054

IUPAC4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide
SMILESCNC(CCN(C)CC1CCC1)C(N)=O
InChIInChI=1S/C11H23N3O/c1-13-10(11(12)15)6-7-14(2)8-9-4-3-5-9/h9-10,13H,3-8H2,1-2H3,(H2,12,15)
InChIKeyFDVOEURKBLXWQW-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.18
Rot. Bonds7

About 4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide

4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide (PubChem CID 63055054) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide
PubChem CID63055054
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide
SMILESCNC(CCN(C)CC1CCC1)C(N)=O
InChIInChI=1S/C11H23N3O/c1-13-10(11(12)15)6-7-14(2)8-9-4-3-5-9/h9-10,13H,3-8H2,1-2H3,(H2,12,15)
InChIKeyFDVOEURKBLXWQW-UHFFFAOYSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide?
The IUPAC name of 4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide (CID 63055054) is 4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide.
What is the SMILES notation for 4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide?
The canonical SMILES for 4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide is CNC(CCN(C)CC1CCC1)C(N)=O.
What is the InChIKey of 4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide?
The InChIKey is FDVOEURKBLXWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-13-10(11(12)15)6-7-14(2)8-9-4-3-5-9/h9-10,13H,3-8H2,1-2H3,(H2,12,15).
What are the key properties of 4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide?
4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide has a molecular weight of 213.32 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide is sourced from PubChem (CID 63055054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).