2-[cyclohexylmethyl(propyl)amino]ethanol

C12H25NO — CID 782419

IUPAC2-[cyclohexylmethyl(propyl)amino]ethanol
SMILESCCCN(CCO)CC1CCCCC1
InChIInChI=1S/C12H25NO/c1-2-8-13(9-10-14)11-12-6-4-3-5-7-12/h12,14H,2-11H2,1H3
InChIKeyITYKOHONPPUVHK-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds6

About 2-[cyclohexylmethyl(propyl)amino]ethanol

2-[cyclohexylmethyl(propyl)amino]ethanol (PubChem CID 782419) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexylmethyl(propyl)amino]ethanol
PubChem CID782419
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-[cyclohexylmethyl(propyl)amino]ethanol
SMILESCCCN(CCO)CC1CCCCC1
InChIInChI=1S/C12H25NO/c1-2-8-13(9-10-14)11-12-6-4-3-5-7-12/h12,14H,2-11H2,1H3
InChIKeyITYKOHONPPUVHK-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(propyl)amino]ethanol?
The IUPAC name of 2-[cyclohexylmethyl(propyl)amino]ethanol (CID 782419) is 2-[cyclohexylmethyl(propyl)amino]ethanol.
What is the SMILES notation for 2-[cyclohexylmethyl(propyl)amino]ethanol?
The canonical SMILES for 2-[cyclohexylmethyl(propyl)amino]ethanol is CCCN(CCO)CC1CCCCC1.
What is the InChIKey of 2-[cyclohexylmethyl(propyl)amino]ethanol?
The InChIKey is ITYKOHONPPUVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-8-13(9-10-14)11-12-6-4-3-5-7-12/h12,14H,2-11H2,1H3.
What are the key properties of 2-[cyclohexylmethyl(propyl)amino]ethanol?
2-[cyclohexylmethyl(propyl)amino]ethanol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl(propyl)amino]ethanol is sourced from PubChem (CID 782419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).