2-cyclohexyl-N-methylbutanamide;hydrochloride

C11H22ClNO — CID 174608918

IUPAC2-cyclohexyl-N-methylbutanamide;hydrochloride
SMILESCCC(C(=O)NC)C1CCCCC1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-3-10(11(13)12-2)9-7-5-4-6-8-9;/h9-10H,3-8H2,1-2H3,(H,12,13);1H
InChIKeyIDPODTDXXNZMHK-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.76
Rot. Bonds3

About 2-cyclohexyl-N-methylbutanamide;hydrochloride

2-cyclohexyl-N-methylbutanamide;hydrochloride (PubChem CID 174608918) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 2-cyclohexyl-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-N-methylbutanamide;hydrochloride
PubChem CID174608918
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name2-cyclohexyl-N-methylbutanamide;hydrochloride
SMILESCCC(C(=O)NC)C1CCCCC1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-3-10(11(13)12-2)9-7-5-4-6-8-9;/h9-10H,3-8H2,1-2H3,(H,12,13);1H
InChIKeyIDPODTDXXNZMHK-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-methylbutanamide;hydrochloride?
The IUPAC name of 2-cyclohexyl-N-methylbutanamide;hydrochloride (CID 174608918) is 2-cyclohexyl-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 2-cyclohexyl-N-methylbutanamide;hydrochloride?
The canonical SMILES for 2-cyclohexyl-N-methylbutanamide;hydrochloride is CCC(C(=O)NC)C1CCCCC1.Cl.
What is the InChIKey of 2-cyclohexyl-N-methylbutanamide;hydrochloride?
The InChIKey is IDPODTDXXNZMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.ClH/c1-3-10(11(13)12-2)9-7-5-4-6-8-9;/h9-10H,3-8H2,1-2H3,(H,12,13);1H.
What are the key properties of 2-cyclohexyl-N-methylbutanamide;hydrochloride?
2-cyclohexyl-N-methylbutanamide;hydrochloride has a molecular weight of 219.76 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 174608918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).