3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide

C13H28N2O — CID 115325261

IUPAC3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide
SMILESCCNCC(C)C(=O)NCCCCC(C)C
InChIInChI=1S/C13H28N2O/c1-5-14-10-12(4)13(16)15-9-7-6-8-11(2)3/h11-12,14H,5-10H2,1-4H3,(H,15,16)
InChIKeySKTRIAIOXZDMCB-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.17
Rot. Bonds9

About 3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide

3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide (PubChem CID 115325261) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide
PubChem CID115325261
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide
SMILESCCNCC(C)C(=O)NCCCCC(C)C
InChIInChI=1S/C13H28N2O/c1-5-14-10-12(4)13(16)15-9-7-6-8-11(2)3/h11-12,14H,5-10H2,1-4H3,(H,15,16)
InChIKeySKTRIAIOXZDMCB-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)-2-methyl-N-(2-methylpropyl)propanamide
CID 62853586
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide
CID 106336507
4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid
CID 107836168
5-amino-2-methyl-N-(7-methyloctyl)pentanamide
CID 104684762
2-methyl-N-nonyldecanamide
CID 141429494
2-hydroxy-N-(7-methyloctyl)acetamide
CID 134467211
methyl 2-methyl-3-(5-methylhexylamino)propanoate
CID 115325726
2-amino-N-(5-methylhexyl)pentanamide
CID 81433782
N-(8-methylnonyl)-2-(2-methylpropylamino)acetamide
CID 156546991
3-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide
CID 62838043
N-ethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 115326127

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide?
The IUPAC name of 3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide (CID 115325261) is 3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide?
The canonical SMILES for 3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide is CCNCC(C)C(=O)NCCCCC(C)C.
What is the InChIKey of 3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide?
The InChIKey is SKTRIAIOXZDMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-14-10-12(4)13(16)15-9-7-6-8-11(2)3/h11-12,14H,5-10H2,1-4H3,(H,15,16).
What are the key properties of 3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide?
3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide is sourced from PubChem (CID 115325261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).