2-(1-aminocyclohexyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone

C15H28N2O2 — CID 107404235

IUPAC2-(1-aminocyclohexyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
SMILESCC1(O)CCCN(C(=O)CC2(N)CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-14(19)6-5-10-17(11-9-14)13(18)12-15(16)7-3-2-4-8-15/h19H,2-12,16H2,1H3
InChIKeyPFBPSMINJMZIOH-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.80
Rot. Bonds2

About 2-(1-aminocyclohexyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone

2-(1-aminocyclohexyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone (PubChem CID 107404235) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
PubChem CID107404235
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-(1-aminocyclohexyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
SMILESCC1(O)CCCN(C(=O)CC2(N)CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-14(19)6-5-10-17(11-9-14)13(18)12-15(16)7-3-2-4-8-15/h19H,2-12,16H2,1H3
InChIKeyPFBPSMINJMZIOH-UHFFFAOYSA-N
XLogP1.80
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone (CID 107404235) is 2-(1-aminocyclohexyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone is CC1(O)CCCN(C(=O)CC2(N)CCCCC2)CC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone?
The InChIKey is PFBPSMINJMZIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(19)6-5-10-17(11-9-14)13(18)12-15(16)7-3-2-4-8-15/h19H,2-12,16H2,1H3.
What are the key properties of 2-(1-aminocyclohexyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone?
2-(1-aminocyclohexyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone is sourced from PubChem (CID 107404235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).