2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol

C14H30N2O — CID 55094802

IUPAC2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol
SMILESCCCN(CCO)CC1CC(C)CCC1NC
InChIInChI=1S/C14H30N2O/c1-4-7-16(8-9-17)11-13-10-12(2)5-6-14(13)15-3/h12-15,17H,4-11H2,1-3H3
InChIKeyLQPNSSLFIRNCOX-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.71
Rot. Bonds7

About 2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol

2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol (PubChem CID 55094802) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol
PubChem CID55094802
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol
SMILESCCCN(CCO)CC1CC(C)CCC1NC
InChIInChI=1S/C14H30N2O/c1-4-7-16(8-9-17)11-13-10-12(2)5-6-14(13)15-3/h12-15,17H,4-11H2,1-3H3
InChIKeyLQPNSSLFIRNCOX-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol?
The IUPAC name of 2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol (CID 55094802) is 2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol.
What is the SMILES notation for 2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol?
The canonical SMILES for 2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol is CCCN(CCO)CC1CC(C)CCC1NC.
What is the InChIKey of 2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol?
The InChIKey is LQPNSSLFIRNCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-7-16(8-9-17)11-13-10-12(2)5-6-14(13)15-3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol?
2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol has a molecular weight of 242.41 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol is sourced from PubChem (CID 55094802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).