[4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone

C15H28N2O2 — CID 107404369

IUPAC[4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2CCC(CN)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(19)7-2-9-17(10-8-15)14(18)13-5-3-12(11-16)4-6-13/h12-13,19H,2-11,16H2,1H3
InChIKeyJGXAZMDLUDXRHI-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.51
Rot. Bonds2

About [4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone

[4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone (PubChem CID 107404369) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
PubChem CID107404369
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name[4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2CCC(CN)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(19)7-2-9-17(10-8-15)14(18)13-5-3-12(11-16)4-6-13/h12-13,19H,2-11,16H2,1H3
InChIKeyJGXAZMDLUDXRHI-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)cyclohexyl]-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107408880
cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 80702617
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406843
[4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 55115030
1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone
CID 107406558
[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone
CID 62807473
1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 79527352
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 80707295
[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone
CID 62806234
[4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 81468169
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
(2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404307

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone (CID 107404369) is [4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone is CC1(O)CCCN(C(=O)C2CCC(CN)CC2)CC1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
The InChIKey is JGXAZMDLUDXRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(19)7-2-9-17(10-8-15)14(18)13-5-3-12(11-16)4-6-13/h12-13,19H,2-11,16H2,1H3.
What are the key properties of [4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
[4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone has a molecular weight of 268.40 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone is sourced from PubChem (CID 107404369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).