8-(ethylamino)-N-methyl-7-(methylamino)octanamide

C12H27N3O — CID 168883489

IUPAC8-(ethylamino)-N-methyl-7-(methylamino)octanamide
SMILESCCNCC(CCCCCC(=O)NC)NC
InChIInChI=1S/C12H27N3O/c1-4-15-10-11(13-2)8-6-5-7-9-12(16)14-3/h11,13,15H,4-10H2,1-3H3,(H,14,16)
InChIKeyGSAOOKWUBNWXHJ-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.88
Rot. Bonds10

About 8-(ethylamino)-N-methyl-7-(methylamino)octanamide

8-(ethylamino)-N-methyl-7-(methylamino)octanamide (PubChem CID 168883489) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 8-(ethylamino)-N-methyl-7-(methylamino)octanamide.

Molecular Properties

Compound Name8-(ethylamino)-N-methyl-7-(methylamino)octanamide
PubChem CID168883489
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name8-(ethylamino)-N-methyl-7-(methylamino)octanamide
SMILESCCNCC(CCCCCC(=O)NC)NC
InChIInChI=1S/C12H27N3O/c1-4-15-10-11(13-2)8-6-5-7-9-12(16)14-3/h11,13,15H,4-10H2,1-3H3,(H,14,16)
InChIKeyGSAOOKWUBNWXHJ-UHFFFAOYSA-N
XLogP0.88
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethylheptanediamide
CID 15166696
N,7-dimethyloctanamide;molecular hydrogen
CID 164603110
N-methylheptacosanamide
CID 18175889
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
N-methyl-11-(methylamino)undecanamide
CID 59809097
ethane;N-methyltetradecanamide
CID 153349961
5-hydroxy-N-methylundecanamide
CID 12996608
N-methyl-18-oxooctadecanamide
CID 145081820
N-methyl-N'-sulfanylnonanediamide
CID 143363504
N-methyl-6-sulfanylhexanamide
CID 58262294
CID 59445332
CID 59445332

Frequently Asked Questions

What is the IUPAC name of 8-(ethylamino)-N-methyl-7-(methylamino)octanamide?
The IUPAC name of 8-(ethylamino)-N-methyl-7-(methylamino)octanamide (CID 168883489) is 8-(ethylamino)-N-methyl-7-(methylamino)octanamide.
What is the SMILES notation for 8-(ethylamino)-N-methyl-7-(methylamino)octanamide?
The canonical SMILES for 8-(ethylamino)-N-methyl-7-(methylamino)octanamide is CCNCC(CCCCCC(=O)NC)NC.
What is the InChIKey of 8-(ethylamino)-N-methyl-7-(methylamino)octanamide?
The InChIKey is GSAOOKWUBNWXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-4-15-10-11(13-2)8-6-5-7-9-12(16)14-3/h11,13,15H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 8-(ethylamino)-N-methyl-7-(methylamino)octanamide?
8-(ethylamino)-N-methyl-7-(methylamino)octanamide has a molecular weight of 229.37 g/mol, XLogP of 0.88, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethylamino)-N-methyl-7-(methylamino)octanamide is sourced from PubChem (CID 168883489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).