5-amino-N-(2-ethylhexyl)hexanamide

C14H30N2O — CID 82851927

IUPAC5-amino-N-(2-ethylhexyl)hexanamide
SMILESCCCCC(CC)CNC(=O)CCCC(C)N
InChIInChI=1S/C14H30N2O/c1-4-6-9-13(5-2)11-16-14(17)10-7-8-12(3)15/h12-13H,4-11,15H2,1-3H3,(H,16,17)
InChIKeyOBEMHUDTFIDGAK-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.84
Rot. Bonds10

About 5-amino-N-(2-ethylhexyl)hexanamide

5-amino-N-(2-ethylhexyl)hexanamide (PubChem CID 82851927) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 5-amino-N-(2-ethylhexyl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(2-ethylhexyl)hexanamide
PubChem CID82851927
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name5-amino-N-(2-ethylhexyl)hexanamide
SMILESCCCCC(CC)CNC(=O)CCCC(C)N
InChIInChI=1S/C14H30N2O/c1-4-6-9-13(5-2)11-16-14(17)10-7-8-12(3)15/h12-13H,4-11,15H2,1-3H3,(H,16,17)
InChIKeyOBEMHUDTFIDGAK-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-amino-N-(2-ethylhexyl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(2-ethylhexyl)butanamide
CID 61249429
4-amino-N-(2-ethylhexyl)butanamide;hydrochloride
CID 119261618
5-(2-ethylhexylamino)-5-oxopentanoic acid
CID 4181990
3-(ethylamino)-N-(2-ethylhexyl)propanamide
CID 62834599
calcium;N-(2-ethylhexyl)-3-oxobutanamide;hydride
CID 173102099
N-(2-aminopropyl)octadecanamide
CID 86003506
butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide
CID 23615613
N-(2-ethylhexyl)-3-phenylpropanamide
CID 3261802
1-(2-ethylhexyl)-3-propan-2-ylurea
CID 78858171
2-bromo-N-(2-ethylhexyl)propanamide
CID 82109337
2-(2-ethylhexylamino)-N-(2-methylpropyl)acetamide
CID 112683030
(2S)-2-(5-aminohexanoylamino)hexanoic acid
CID 107146995

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-ethylhexyl)hexanamide?
The IUPAC name of 5-amino-N-(2-ethylhexyl)hexanamide (CID 82851927) is 5-amino-N-(2-ethylhexyl)hexanamide.
What is the SMILES notation for 5-amino-N-(2-ethylhexyl)hexanamide?
The canonical SMILES for 5-amino-N-(2-ethylhexyl)hexanamide is CCCCC(CC)CNC(=O)CCCC(C)N.
What is the InChIKey of 5-amino-N-(2-ethylhexyl)hexanamide?
The InChIKey is OBEMHUDTFIDGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-6-9-13(5-2)11-16-14(17)10-7-8-12(3)15/h12-13H,4-11,15H2,1-3H3,(H,16,17).
What are the key properties of 5-amino-N-(2-ethylhexyl)hexanamide?
5-amino-N-(2-ethylhexyl)hexanamide has a molecular weight of 242.41 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethylhexyl)hexanamide is sourced from PubChem (CID 82851927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).