6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide

C15H33N3O — CID 79482211

IUPAC6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide
SMILESCCC(C)CN(CC)CCCCC(C)(NC)C(N)=O
InChIInChI=1S/C15H33N3O/c1-6-13(3)12-18(7-2)11-9-8-10-15(4,17-5)14(16)19/h13,17H,6-12H2,1-5H3,(H2,16,19)
InChIKeyGPOUTPDQOPHWAM-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.99
Rot. Bonds11

About 6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide

6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide (PubChem CID 79482211) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide.

Molecular Properties

Compound Name6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide
PubChem CID79482211
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide
SMILESCCC(C)CN(CC)CCCCC(C)(NC)C(N)=O
InChIInChI=1S/C15H33N3O/c1-6-13(3)12-18(7-2)11-9-8-10-15(4,17-5)14(16)19/h13,17H,6-12H2,1-5H3,(H2,16,19)
InChIKeyGPOUTPDQOPHWAM-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.99
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)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide
CID 79481793
methyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 79481544
methyl 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate
CID 79481545
2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol
CID 79471006
2-methyl-2-(methylamino)heptanamide
CID 80557436
3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol
CID 106811400
2-methyl-2-(methylamino)-5-(2-methylpentoxy)pentanamide
CID 103284845
1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine
CID 79478022
2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide
CID 79481579
3-[ethyl(2-methylbutyl)amino]-2-(methylamino)-2-phenylpropanamide
CID 79482186
1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine
CID 79477138
2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide
CID 79480286

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide?
The IUPAC name of 6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide (CID 79482211) is 6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide.
What is the SMILES notation for 6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide?
The canonical SMILES for 6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide is CCC(C)CN(CC)CCCCC(C)(NC)C(N)=O.
What is the InChIKey of 6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide?
The InChIKey is GPOUTPDQOPHWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-6-13(3)12-18(7-2)11-9-8-10-15(4,17-5)14(16)19/h13,17H,6-12H2,1-5H3,(H2,16,19).
What are the key properties of 6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide?
6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide has a molecular weight of 271.45 g/mol, XLogP of 1.99, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide is sourced from PubChem (CID 79482211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).