6-amino-4-ethyl-1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one

C15H30N2O2 — CID 107404400

IUPAC6-amino-4-ethyl-1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one
SMILESCCC(CCN)CCC(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C15H30N2O2/c1-3-13(7-10-16)5-6-14(18)17-11-4-8-15(2,19)9-12-17/h13,19H,3-12,16H2,1-2H3
InChIKeyOHXYIXWFZWKRFW-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.91
Rot. Bonds6

About 6-amino-4-ethyl-1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one

6-amino-4-ethyl-1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one (PubChem CID 107404400) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 6-amino-4-ethyl-1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-4-ethyl-1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one
PubChem CID107404400
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name6-amino-4-ethyl-1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one
SMILESCCC(CCN)CCC(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C15H30N2O2/c1-3-13(7-10-16)5-6-14(18)17-11-4-8-15(2,19)9-12-17/h13,19H,3-12,16H2,1-2H3
InChIKeyOHXYIXWFZWKRFW-UHFFFAOYSA-N
XLogP1.91
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Hydroxy-4-propan-2-ylazepan-1-yl)-3-oxopropanamide
CID 58456130
2-(4-Hydroxyazepan-4-yl)acetamide
CID 84074428
5-Hydroxy-5-propan-2-ylazepan-2-one
CID 118334258
5-Hydroxy-5-methylazepan-2-one
CID 118336725
4-Hydroxy-4-methylazepan-2-one
CID 140142032
2-(4-Hydroxy-1-methylazepan-4-yl)acetamide
CID 144073593
6-Amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626505
1-(5-Aminopentyl)-5-ethylazepan-2-one
CID 64341967
1-(4-Aminobutyl)-5-ethylazepan-2-one
CID 64341968
6-Amino-4-ethyl-1-(4-methylazepan-1-yl)hexan-1-one
CID 64344484
1-(5-Aminopentyl)-5-methylazepan-2-one
CID 64346641
1-(4-Aminobutyl)-5-methylazepan-2-one
CID 64346836

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-ethyl-1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one?
The IUPAC name of 6-amino-4-ethyl-1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one (CID 107404400) is 6-amino-4-ethyl-1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one.
What is the SMILES notation for 6-amino-4-ethyl-1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one?
The canonical SMILES for 6-amino-4-ethyl-1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one is CCC(CCN)CCC(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of 6-amino-4-ethyl-1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one?
The InChIKey is OHXYIXWFZWKRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-13(7-10-16)5-6-14(18)17-11-4-8-15(2,19)9-12-17/h13,19H,3-12,16H2,1-2H3.
What are the key properties of 6-amino-4-ethyl-1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one?
6-amino-4-ethyl-1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one has a molecular weight of 270.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-ethyl-1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one is sourced from PubChem (CID 107404400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).