2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride

C16H33ClN2O — CID 119787781

IUPAC2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCCC(C(C)(C)C)CC1.Cl
InChIInChI=1S/C16H32N2O.ClH/c1-6-10-16(5,17)14(19)18-11-7-8-13(9-12-18)15(2,3)4;/h13H,6-12,17H2,1-5H3;1H
InChIKeyOWACOCLXKQTKCP-UHFFFAOYSA-N
MW304.91 g/mol
LogP3.60
Rot. Bonds3

About 2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride

2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride (PubChem CID 119787781) has the molecular formula C16H33ClN2O and a molecular weight of 304.91 g/mol. Its IUPAC name is 2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
PubChem CID119787781
Molecular FormulaC16H33ClN2O
Molecular Weight304.91 g/mol
Exact Mass304.23
IUPAC Name2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCCC(C(C)(C)C)CC1.Cl
InChIInChI=1S/C16H32N2O.ClH/c1-6-10-16(5,17)14(19)18-11-7-8-13(9-12-18)15(2,3)4;/h13H,6-12,17H2,1-5H3;1H
InChIKeyOWACOCLXKQTKCP-UHFFFAOYSA-N
XLogP3.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.91
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119794919
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119671353
1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119750510
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 60848400
2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119710551
2-amino-1-(4-tert-butylazepan-1-yl)pentan-1-one;hydrochloride
CID 119326049
2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one
CID 60848035
2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride
CID 119826659
2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 113357324
3-amino-1-(4-tert-butylazepan-1-yl)propan-1-one;hydrochloride
CID 119326035
2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119743528
2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one
CID 115739383

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride (CID 119787781) is 2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride is CCCC(C)(N)C(=O)N1CCCC(C(C)(C)C)CC1.Cl.
What is the InChIKey of 2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride?
The InChIKey is OWACOCLXKQTKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O.ClH/c1-6-10-16(5,17)14(19)18-11-7-8-13(9-12-18)15(2,3)4;/h13H,6-12,17H2,1-5H3;1H.
What are the key properties of 2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride?
2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride has a molecular weight of 304.91 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 119787781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).