2-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-ethylbutan-1-ol

C15H31NO — CID 81419077

IUPAC2-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNC1CCCCC1(C)C
InChIInChI=1S/C15H31NO/c1-5-15(6-2,12-17)11-16-13-9-7-8-10-14(13,3)4/h13,16-17H,5-12H2,1-4H3
InChIKeyONGGSMMDCGKZMQ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.34
Rot. Bonds6

About 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-ethylbutan-1-ol

2-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 81419077) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID81419077
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNC1CCCCC1(C)C
InChIInChI=1S/C15H31NO/c1-5-15(6-2,12-17)11-16-13-9-7-8-10-14(13,3)4/h13,16-17H,5-12H2,1-4H3
InChIKeyONGGSMMDCGKZMQ-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-ethylbutan-1-ol (CID 81419077) is 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNC1CCCCC1(C)C.
What is the InChIKey of 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is ONGGSMMDCGKZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-15(6-2,12-17)11-16-13-9-7-8-10-14(13,3)4/h13,16-17H,5-12H2,1-4H3.
What are the key properties of 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 81419077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).