2-[butan-2-yl(cyclohexyl)amino]ethanol

C12H25NO — CID 62016014

IUPAC2-[butan-2-yl(cyclohexyl)amino]ethanol
SMILESCCC(C)N(CCO)C1CCCCC1
InChIInChI=1S/C12H25NO/c1-3-11(2)13(9-10-14)12-7-5-4-6-8-12/h11-12,14H,3-10H2,1-2H3
InChIKeyKYDLJIHLGZYOCL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.41
Rot. Bonds5

About 2-[butan-2-yl(cyclohexyl)amino]ethanol

2-[butan-2-yl(cyclohexyl)amino]ethanol (PubChem CID 62016014) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[butan-2-yl(cyclohexyl)amino]ethanol.

Molecular Properties

Compound Name2-[butan-2-yl(cyclohexyl)amino]ethanol
PubChem CID62016014
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-[butan-2-yl(cyclohexyl)amino]ethanol
SMILESCCC(C)N(CCO)C1CCCCC1
InChIInChI=1S/C12H25NO/c1-3-11(2)13(9-10-14)12-7-5-4-6-8-12/h11-12,14H,3-10H2,1-2H3
InChIKeyKYDLJIHLGZYOCL-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(cyclohexyl)amino]ethanol?
The IUPAC name of 2-[butan-2-yl(cyclohexyl)amino]ethanol (CID 62016014) is 2-[butan-2-yl(cyclohexyl)amino]ethanol.
What is the SMILES notation for 2-[butan-2-yl(cyclohexyl)amino]ethanol?
The canonical SMILES for 2-[butan-2-yl(cyclohexyl)amino]ethanol is CCC(C)N(CCO)C1CCCCC1.
What is the InChIKey of 2-[butan-2-yl(cyclohexyl)amino]ethanol?
The InChIKey is KYDLJIHLGZYOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-11(2)13(9-10-14)12-7-5-4-6-8-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-[butan-2-yl(cyclohexyl)amino]ethanol?
2-[butan-2-yl(cyclohexyl)amino]ethanol has a molecular weight of 199.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(cyclohexyl)amino]ethanol is sourced from PubChem (CID 62016014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).