2-(methylamino)-N-octan-4-ylacetamide;hydrochloride

C11H25ClN2O — CID 119816540

IUPAC2-(methylamino)-N-octan-4-ylacetamide;hydrochloride
SMILESCCCCC(CCC)NC(=O)CNC.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-4-6-8-10(7-5-2)13-11(14)9-12-3;/h10,12H,4-9H2,1-3H3,(H,13,14);1H
InChIKeyIYUWFUZYGMDODH-UHFFFAOYSA-N
MW236.79 g/mol
LogP2.10
Rot. Bonds8

About 2-(methylamino)-N-octan-4-ylacetamide;hydrochloride

2-(methylamino)-N-octan-4-ylacetamide;hydrochloride (PubChem CID 119816540) has the molecular formula C11H25ClN2O and a molecular weight of 236.79 g/mol. Its IUPAC name is 2-(methylamino)-N-octan-4-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-octan-4-ylacetamide;hydrochloride
PubChem CID119816540
Molecular FormulaC11H25ClN2O
Molecular Weight236.79 g/mol
Exact Mass236.17
IUPAC Name2-(methylamino)-N-octan-4-ylacetamide;hydrochloride
SMILESCCCCC(CCC)NC(=O)CNC.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-4-6-8-10(7-5-2)13-11(14)9-12-3;/h10,12H,4-9H2,1-3H3,(H,13,14);1H
InChIKeyIYUWFUZYGMDODH-UHFFFAOYSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylamino)-N-octan-4-ylpropanamide
CID 106025922
2-(methylamino)-N-pentadecan-3-ylacetamide
CID 156639958
N-octan-4-ylpentanamide
CID 91803774
4-hydroxy-N-octan-4-ylbutanamide
CID 106022325
2-(octan-4-ylamino)-N-propan-2-ylacetamide
CID 103776277
4-chloro-N-octan-4-ylbutanamide
CID 106019308
(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride
CID 119342416
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide
CID 106025932
N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide
CID 107222412
2-methyl-3-(octan-4-ylamino)-3-oxopropanoic acid
CID 106021991
3-amino-N-octan-4-yl-3-phenylpropanamide
CID 103823881

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-octan-4-ylacetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-octan-4-ylacetamide;hydrochloride (CID 119816540) is 2-(methylamino)-N-octan-4-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-octan-4-ylacetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-octan-4-ylacetamide;hydrochloride is CCCCC(CCC)NC(=O)CNC.Cl.
What is the InChIKey of 2-(methylamino)-N-octan-4-ylacetamide;hydrochloride?
The InChIKey is IYUWFUZYGMDODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.ClH/c1-4-6-8-10(7-5-2)13-11(14)9-12-3;/h10,12H,4-9H2,1-3H3,(H,13,14);1H.
What are the key properties of 2-(methylamino)-N-octan-4-ylacetamide;hydrochloride?
2-(methylamino)-N-octan-4-ylacetamide;hydrochloride has a molecular weight of 236.79 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-octan-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119816540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).