[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclohexyl]methanol

C15H31NO2 — CID 81418622

IUPAC[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclohexyl]methanol
SMILESCC(C)CCOCCNCC1(CO)CCCCC1
InChIInChI=1S/C15H31NO2/c1-14(2)6-10-18-11-9-16-12-15(13-17)7-4-3-5-8-15/h14,16-17H,3-13H2,1-2H3
InChIKeyGPVCQRPXGZQICY-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.58
Rot. Bonds9

About [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclohexyl]methanol

[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 81418622) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclohexyl]methanol
PubChem CID81418622
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclohexyl]methanol
SMILESCC(C)CCOCCNCC1(CO)CCCCC1
InChIInChI=1S/C15H31NO2/c1-14(2)6-10-18-11-9-16-12-15(13-17)7-4-3-5-8-15/h14,16-17H,3-13H2,1-2H3
InChIKeyGPVCQRPXGZQICY-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclohexyl]methanol (CID 81418622) is [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclohexyl]methanol is CC(C)CCOCCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is GPVCQRPXGZQICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-14(2)6-10-18-11-9-16-12-15(13-17)7-4-3-5-8-15/h14,16-17H,3-13H2,1-2H3.
What are the key properties of [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclohexyl]methanol?
[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 257.42 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81418622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).