N,N-diethyl-2-[hexyl(methyl)amino]acetamide

C13H28N2O — CID 86911436

IUPACN,N-diethyl-2-[hexyl(methyl)amino]acetamide
SMILESCCCCCCN(C)CC(=O)N(CC)CC
InChIInChI=1S/C13H28N2O/c1-5-8-9-10-11-14(4)12-13(16)15(6-2)7-3/h5-12H2,1-4H3
InChIKeyLUSNXDIWDAGAHL-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.37
Rot. Bonds9

About N,N-diethyl-2-[hexyl(methyl)amino]acetamide

N,N-diethyl-2-[hexyl(methyl)amino]acetamide (PubChem CID 86911436) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N,N-diethyl-2-[hexyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[hexyl(methyl)amino]acetamide
PubChem CID86911436
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN,N-diethyl-2-[hexyl(methyl)amino]acetamide
SMILESCCCCCCN(C)CC(=O)N(CC)CC
InChIInChI=1S/C13H28N2O/c1-5-8-9-10-11-14(4)12-13(16)15(6-2)7-3/h5-12H2,1-4H3
InChIKeyLUSNXDIWDAGAHL-UHFFFAOYSA-N
XLogP2.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-[methyl(propyl)amino]acetamide
CID 135175911
2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide
CID 61453098
2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide
CID 54966442
2-[hexyl(methyl)amino]acetic acid
CID 10197909
2-[methyl(tridecyl)amino]acetamide
CID 175737609
calcium;2-[dodecyl(methyl)amino]acetic acid;hydride
CID 173195427
N-methyl-N-(2-methylprop-2-enyl)octan-1-amine
CID 20788988
methyl 2-[methyl(octyl)amino]acetate
CID 62028594
2-[dodecyl(methyl)amino]-N-methylacetamide
CID 87591465
methyl 2-[methyl(nonyl)amino]acetate
CID 61238688
N-ethyl-N-octylbutanamide
CID 138793187
N-ethyl-N-methyltridecan-1-amine
CID 71442842

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[hexyl(methyl)amino]acetamide?
The IUPAC name of N,N-diethyl-2-[hexyl(methyl)amino]acetamide (CID 86911436) is N,N-diethyl-2-[hexyl(methyl)amino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[hexyl(methyl)amino]acetamide?
The canonical SMILES for N,N-diethyl-2-[hexyl(methyl)amino]acetamide is CCCCCCN(C)CC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-[hexyl(methyl)amino]acetamide?
The InChIKey is LUSNXDIWDAGAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-8-9-10-11-14(4)12-13(16)15(6-2)7-3/h5-12H2,1-4H3.
What are the key properties of N,N-diethyl-2-[hexyl(methyl)amino]acetamide?
N,N-diethyl-2-[hexyl(methyl)amino]acetamide has a molecular weight of 228.38 g/mol, XLogP of 2.37, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[hexyl(methyl)amino]acetamide is sourced from PubChem (CID 86911436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).