4-amino-N-(2-ethylhexyl)butanamide;hydrochloride

C12H27ClN2O — CID 119261618

IUPAC4-amino-N-(2-ethylhexyl)butanamide;hydrochloride
SMILESCCCCC(CC)CNC(=O)CCCN.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-3-5-7-11(4-2)10-14-12(15)8-6-9-13;/h11H,3-10,13H2,1-2H3,(H,14,15);1H
InChIKeyDEKFFUGINZLYJJ-UHFFFAOYSA-N
MW250.81 g/mol
LogP2.48
Rot. Bonds9

About 4-amino-N-(2-ethylhexyl)butanamide;hydrochloride

4-amino-N-(2-ethylhexyl)butanamide;hydrochloride (PubChem CID 119261618) has the molecular formula C12H27ClN2O and a molecular weight of 250.81 g/mol. Its IUPAC name is 4-amino-N-(2-ethylhexyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2-ethylhexyl)butanamide;hydrochloride
PubChem CID119261618
Molecular FormulaC12H27ClN2O
Molecular Weight250.81 g/mol
Exact Mass250.18
IUPAC Name4-amino-N-(2-ethylhexyl)butanamide;hydrochloride
SMILESCCCCC(CC)CNC(=O)CCCN.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-3-5-7-11(4-2)10-14-12(15)8-6-9-13;/h11H,3-10,13H2,1-2H3,(H,14,15);1H
InChIKeyDEKFFUGINZLYJJ-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.81
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-ethylhexyl)butanamide
CID 61249429
5-amino-N-(2-ethylhexyl)hexanamide
CID 82851927
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-ethylhexyl)-3-phenylpropanamide
CID 3261802
N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide
CID 100546563
N-(2-ethylhexyl)-4-(4-methoxyphenoxy)butanamide
CID 2791782
butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide
CID 23615613
N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide
CID 7298055
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425
(E)-N-(2-ethylhexyl)but-2-enamide
CID 23335626

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethylhexyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2-ethylhexyl)butanamide;hydrochloride (CID 119261618) is 4-amino-N-(2-ethylhexyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2-ethylhexyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2-ethylhexyl)butanamide;hydrochloride is CCCCC(CC)CNC(=O)CCCN.Cl.
What is the InChIKey of 4-amino-N-(2-ethylhexyl)butanamide;hydrochloride?
The InChIKey is DEKFFUGINZLYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.ClH/c1-3-5-7-11(4-2)10-14-12(15)8-6-9-13;/h11H,3-10,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 4-amino-N-(2-ethylhexyl)butanamide;hydrochloride?
4-amino-N-(2-ethylhexyl)butanamide;hydrochloride has a molecular weight of 250.81 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethylhexyl)butanamide;hydrochloride is sourced from PubChem (CID 119261618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).