6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide

C15H31N3O — CID 62861901

IUPAC6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide
SMILESCCNC(C)(CCCCN(C)CC1CCC1)C(N)=O
InChIInChI=1S/C15H31N3O/c1-4-17-15(2,14(16)19)10-5-6-11-18(3)12-13-8-7-9-13/h13,17H,4-12H2,1-3H3,(H2,16,19)
InChIKeyYAHNHGNGWORSNX-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds10

About 6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide

6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide (PubChem CID 62861901) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide.

Molecular Properties

Compound Name6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide
PubChem CID62861901
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide
SMILESCCNC(C)(CCCCN(C)CC1CCC1)C(N)=O
InChIInChI=1S/C15H31N3O/c1-4-17-15(2,14(16)19)10-5-6-11-18(3)12-13-8-7-9-13/h13,17H,4-12H2,1-3H3,(H2,16,19)
InChIKeyYAHNHGNGWORSNX-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid
CID 63711791
methyl 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanoate
CID 62861406
methyl 2-(ethylamino)-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
CID 63711958
2-methyl-2-(methylamino)-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanamide
CID 79315577
ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate
CID 107401030
2-(ethylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanamide
CID 63967557
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide
CID 107401130
6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64786465
2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63236573
4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol
CID 64787817
6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)hexanamide
CID 64522437
5-[cyclopentylmethyl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254595

Frequently Asked Questions

What is the IUPAC name of 6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide?
The IUPAC name of 6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide (CID 62861901) is 6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide.
What is the SMILES notation for 6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide?
The canonical SMILES for 6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide is CCNC(C)(CCCCN(C)CC1CCC1)C(N)=O.
What is the InChIKey of 6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide?
The InChIKey is YAHNHGNGWORSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-17-15(2,14(16)19)10-5-6-11-18(3)12-13-8-7-9-13/h13,17H,4-12H2,1-3H3,(H2,16,19).
What are the key properties of 6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide?
6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide is sourced from PubChem (CID 62861901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).