3-amino-N-(1,4-dimethylcyclohexyl)-2-methylbutanamide;hydrochloride

C13H27ClN2O — CID 120500050

IUPAC3-amino-N-(1,4-dimethylcyclohexyl)-2-methylbutanamide;hydrochloride
SMILESCC1CCC(C)(NC(=O)C(C)C(C)N)CC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-9-5-7-13(4,8-6-9)15-12(16)10(2)11(3)14;/h9-11H,5-8,14H2,1-4H3,(H,15,16);1H
InChIKeyCIIMWXUJIFCNRH-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.48
Rot. Bonds3

About 3-amino-N-(1,4-dimethylcyclohexyl)-2-methylbutanamide;hydrochloride

3-amino-N-(1,4-dimethylcyclohexyl)-2-methylbutanamide;hydrochloride (PubChem CID 120500050) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 3-amino-N-(1,4-dimethylcyclohexyl)-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1,4-dimethylcyclohexyl)-2-methylbutanamide;hydrochloride
PubChem CID120500050
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name3-amino-N-(1,4-dimethylcyclohexyl)-2-methylbutanamide;hydrochloride
SMILESCC1CCC(C)(NC(=O)C(C)C(C)N)CC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-9-5-7-13(4,8-6-9)15-12(16)10(2)11(3)14;/h9-11H,5-8,14H2,1-4H3,(H,15,16);1H
InChIKeyCIIMWXUJIFCNRH-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,4-dimethylcyclohexyl)-2-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-(1,4-dimethylcyclohexyl)-2-methylbutanamide;hydrochloride (CID 120500050) is 3-amino-N-(1,4-dimethylcyclohexyl)-2-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1,4-dimethylcyclohexyl)-2-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1,4-dimethylcyclohexyl)-2-methylbutanamide;hydrochloride is CC1CCC(C)(NC(=O)C(C)C(C)N)CC1.Cl.
What is the InChIKey of 3-amino-N-(1,4-dimethylcyclohexyl)-2-methylbutanamide;hydrochloride?
The InChIKey is CIIMWXUJIFCNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-9-5-7-13(4,8-6-9)15-12(16)10(2)11(3)14;/h9-11H,5-8,14H2,1-4H3,(H,15,16);1H.
What are the key properties of 3-amino-N-(1,4-dimethylcyclohexyl)-2-methylbutanamide;hydrochloride?
3-amino-N-(1,4-dimethylcyclohexyl)-2-methylbutanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,4-dimethylcyclohexyl)-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 120500050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).