2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide

C16H35N3O — CID 79481793

IUPAC2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide
SMILESCCNC(C)(CCCCN(CC)CC(C)CC)C(N)=O
InChIInChI=1S/C16H35N3O/c1-6-14(4)13-19(8-3)12-10-9-11-16(5,15(17)20)18-7-2/h14,18H,6-13H2,1-5H3,(H2,17,20)
InChIKeyXETHWXDPLCDKAV-UHFFFAOYSA-N
MW285.48 g/mol
LogP2.38
Rot. Bonds12

About 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide

2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide (PubChem CID 79481793) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide.

Molecular Properties

Compound Name2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide
PubChem CID79481793
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide
SMILESCCNC(C)(CCCCN(CC)CC(C)CC)C(N)=O
InChIInChI=1S/C16H35N3O/c1-6-14(4)13-19(8-3)12-10-9-11-16(5,15(17)20)18-7-2/h14,18H,6-13H2,1-5H3,(H2,17,20)
InChIKeyXETHWXDPLCDKAV-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 52.38
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

6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide
CID 79482211
methyl 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate
CID 79481545
methyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 79481544
2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol
CID 79471006
2-(ethylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanamide
CID 63967557
2-(ethylamino)-5-[2-methoxyethyl(propan-2-yl)amino]-2-methylpentanamide
CID 82961131
2-(ethylamino)-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanamide
CID 66105628
2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide
CID 79481579
6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide
CID 62861901
2-(ethylamino)-2-methyl-5-(2-methylpentoxy)pentanamide
CID 103284877
1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine
CID 79477138
6-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylhexanoic acid
CID 63692483

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide?
The IUPAC name of 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide (CID 79481793) is 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide.
What is the SMILES notation for 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide?
The canonical SMILES for 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide is CCNC(C)(CCCCN(CC)CC(C)CC)C(N)=O.
What is the InChIKey of 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide?
The InChIKey is XETHWXDPLCDKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-6-14(4)13-19(8-3)12-10-9-11-16(5,15(17)20)18-7-2/h14,18H,6-13H2,1-5H3,(H2,17,20).
What are the key properties of 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide?
2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide has a molecular weight of 285.48 g/mol, XLogP of 2.38, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide is sourced from PubChem (CID 79481793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).