2-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]cyclohexan-1-ol

C12H25NO3 — CID 65394016

IUPAC2-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]cyclohexan-1-ol
SMILESCOCCOCCC1(CN)CCCCC1O
InChIInChI=1S/C12H25NO3/c1-15-8-9-16-7-6-12(10-13)5-3-2-4-11(12)14/h11,14H,2-10,13H2,1H3
InChIKeyKEPBRQGVOICVHD-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.92
Rot. Bonds7

About 2-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]cyclohexan-1-ol

2-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]cyclohexan-1-ol (PubChem CID 65394016) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]cyclohexan-1-ol
PubChem CID65394016
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]cyclohexan-1-ol
SMILESCOCCOCCC1(CN)CCCCC1O
InChIInChI=1S/C12H25NO3/c1-15-8-9-16-7-6-12(10-13)5-3-2-4-11(12)14/h11,14H,2-10,13H2,1H3
InChIKeyKEPBRQGVOICVHD-UHFFFAOYSA-N
XLogP0.92
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]cyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]cyclohexan-1-ol (CID 65394016) is 2-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]cyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]cyclohexan-1-ol is COCCOCCC1(CN)CCCCC1O.
What is the InChIKey of 2-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]cyclohexan-1-ol?
The InChIKey is KEPBRQGVOICVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-15-8-9-16-7-6-12(10-13)5-3-2-4-11(12)14/h11,14H,2-10,13H2,1H3.
What are the key properties of 2-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]cyclohexan-1-ol?
2-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]cyclohexan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 65394016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).