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

C13H27N3O — CID 107401130

IUPAC4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide
SMILESCCN(CCC(C)(NC)C(N)=O)CC1CCC1
InChIInChI=1S/C13H27N3O/c1-4-16(10-11-6-5-7-11)9-8-13(2,15-3)12(14)17/h11,15H,4-10H2,1-3H3,(H2,14,17)
InChIKeyNXBQVCOCEPDWQK-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds8

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

4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide (PubChem CID 107401130) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide
PubChem CID107401130
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide
SMILESCCN(CCC(C)(NC)C(N)=O)CC1CCC1
InChIInChI=1S/C13H27N3O/c1-4-16(10-11-6-5-7-11)9-8-13(2,15-3)12(14)17/h11,15H,4-10H2,1-3H3,(H2,14,17)
InChIKeyNXBQVCOCEPDWQK-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
CID 107401191
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid
CID 107401133
ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate
CID 107401126
2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 63954453
5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107401112
4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid
CID 63955268
ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate
CID 107401030
3-[cyclobutylmethyl(ethyl)amino]propanehydrazide
CID 107402379
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 107402539
6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid
CID 107401160
6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide
CID 62861901
6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)hexanamide
CID 64522437

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide?
The IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide (CID 107401130) is 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide.
What is the SMILES notation for 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide?
The canonical SMILES for 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide is CCN(CCC(C)(NC)C(N)=O)CC1CCC1.
What is the InChIKey of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide?
The InChIKey is NXBQVCOCEPDWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-16(10-11-6-5-7-11)9-8-13(2,15-3)12(14)17/h11,15H,4-10H2,1-3H3,(H2,14,17).
What are the key properties of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide?
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide is sourced from PubChem (CID 107401130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).