2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol

C12H25NO3 — CID 106938444

IUPAC2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol
SMILESNCC1CCCCC1COCCOCCO
InChIInChI=1S/C12H25NO3/c13-9-11-3-1-2-4-12(11)10-16-8-7-15-6-5-14/h11-12,14H,1-10,13H2
InChIKeyYCPXCGUDHXJQDZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.78
Rot. Bonds8

About 2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol

2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol (PubChem CID 106938444) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol
PubChem CID106938444
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol
SMILESNCC1CCCCC1COCCOCCO
InChIInChI=1S/C12H25NO3/c13-9-11-3-1-2-4-12(11)10-16-8-7-15-6-5-14/h11-12,14H,1-10,13H2
InChIKeyYCPXCGUDHXJQDZ-UHFFFAOYSA-N
XLogP0.78
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.78
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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Related Compounds

2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol
CID 106938416
[2-(3-fluoropropoxymethyl)cyclohexyl]methanamine
CID 81113388
2-[2-(cyclopentylmethoxy)ethoxy]ethanol
CID 59001866
2-[2-[2-[2-(cyclohexylmethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 142615958
methyl 3-[[2-(aminomethyl)cyclohexyl]methoxy]propanoate
CID 106940266
[2-(hept-6-enoxymethyl)cyclohexyl]methanamine
CID 107007728
[2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine
CID 82892394
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
2-[2-[[2-[2-[2-(2-diazoacetyl)oxyethoxy]ethoxymethyl]cyclohexyl]methoxy]ethoxy]ethyl 2-diazoacetate
CID 122212646
2-[3-(3-aminopropoxy)propoxy]ethanol
CID 87504728

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol (CID 106938444) is 2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol is NCC1CCCCC1COCCOCCO.
What is the InChIKey of 2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol?
The InChIKey is YCPXCGUDHXJQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c13-9-11-3-1-2-4-12(11)10-16-8-7-15-6-5-14/h11-12,14H,1-10,13H2.
What are the key properties of 2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol?
2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol has a molecular weight of 231.34 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol is sourced from PubChem (CID 106938444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).