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

C14H29ClN2O — CID 119794919

IUPAC2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCCC(CC)CC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-4-9-14(3,15)13(17)16-10-6-7-12(5-2)8-11-16;/h12H,4-11,15H2,1-3H3;1H
InChIKeyRHQSOLHBMYEFRX-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.96
Rot. Bonds4

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

2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride (PubChem CID 119794919) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
PubChem CID119794919
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCCC(CC)CC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-4-9-14(3,15)13(17)16-10-6-7-12(5-2)8-11-16;/h12H,4-11,15H2,1-3H3;1H
InChIKeyRHQSOLHBMYEFRX-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119787781
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-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119671353
2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 113357324
3-(4-ethylazepan-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821966
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
2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one
CID 114290751
1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119750510
2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119671917
2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one
CID 60847519

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride (CID 119794919) is 2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride is CCCC(C)(N)C(=O)N1CCCC(CC)CC1.Cl.
What is the InChIKey of 2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride?
The InChIKey is RHQSOLHBMYEFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-4-9-14(3,15)13(17)16-10-6-7-12(5-2)8-11-16;/h12H,4-11,15H2,1-3H3;1H.
What are the key properties of 2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride?
2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 119794919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).