2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol

C15H31NO — CID 81412753

IUPAC2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol
SMILESCCC1CCCCC1NCC(CC)(CC)CO
InChIInChI=1S/C15H31NO/c1-4-13-9-7-8-10-14(13)16-11-15(5-2,6-3)12-17/h13-14,16-17H,4-12H2,1-3H3
InChIKeyQHQSYCYOBRLOQK-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.34
Rot. Bonds7

About 2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol

2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol (PubChem CID 81412753) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol
PubChem CID81412753
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol
SMILESCCC1CCCCC1NCC(CC)(CC)CO
InChIInChI=1S/C15H31NO/c1-4-13-9-7-8-10-14(13)16-11-15(5-2,6-3)12-17/h13-14,16-17H,4-12H2,1-3H3
InChIKeyQHQSYCYOBRLOQK-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol (CID 81412753) is 2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol is CCC1CCCCC1NCC(CC)(CC)CO.
What is the InChIKey of 2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol?
The InChIKey is QHQSYCYOBRLOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-13-9-7-8-10-14(13)16-11-15(5-2,6-3)12-17/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of 2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 81412753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).