2-(aminomethyl)-2-(2-methoxyethyl)cyclohexan-1-ol

C10H21NO2 — CID 65395474

IUPAC2-(aminomethyl)-2-(2-methoxyethyl)cyclohexan-1-ol
SMILESCOCCC1(CN)CCCCC1O
InChIInChI=1S/C10H21NO2/c1-13-7-6-10(8-11)5-3-2-4-9(10)12/h9,12H,2-8,11H2,1H3
InChIKeyPYKYSTFZZJTULO-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.90
Rot. Bonds4

About 2-(aminomethyl)-2-(2-methoxyethyl)cyclohexan-1-ol

2-(aminomethyl)-2-(2-methoxyethyl)cyclohexan-1-ol (PubChem CID 65395474) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(2-methoxyethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(2-methoxyethyl)cyclohexan-1-ol
PubChem CID65395474
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-(aminomethyl)-2-(2-methoxyethyl)cyclohexan-1-ol
SMILESCOCCC1(CN)CCCCC1O
InChIInChI=1S/C10H21NO2/c1-13-7-6-10(8-11)5-3-2-4-9(10)12/h9,12H,2-8,11H2,1H3
InChIKeyPYKYSTFZZJTULO-UHFFFAOYSA-N
XLogP0.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(2-methoxyethyl)cyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(2-methoxyethyl)cyclohexan-1-ol (CID 65395474) is 2-(aminomethyl)-2-(2-methoxyethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(2-methoxyethyl)cyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(2-methoxyethyl)cyclohexan-1-ol is COCCC1(CN)CCCCC1O.
What is the InChIKey of 2-(aminomethyl)-2-(2-methoxyethyl)cyclohexan-1-ol?
The InChIKey is PYKYSTFZZJTULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-13-7-6-10(8-11)5-3-2-4-9(10)12/h9,12H,2-8,11H2,1H3.
What are the key properties of 2-(aminomethyl)-2-(2-methoxyethyl)cyclohexan-1-ol?
2-(aminomethyl)-2-(2-methoxyethyl)cyclohexan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(2-methoxyethyl)cyclohexan-1-ol is sourced from PubChem (CID 65395474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).