2-(3-ethylcyclohexyl)-1-(2-methylpropylamino)propan-2-ol

C15H31NO — CID 66037758

IUPAC2-(3-ethylcyclohexyl)-1-(2-methylpropylamino)propan-2-ol
SMILESCCC1CCCC(C(C)(O)CNCC(C)C)C1
InChIInChI=1S/C15H31NO/c1-5-13-7-6-8-14(9-13)15(4,17)11-16-10-12(2)3/h12-14,16-17H,5-11H2,1-4H3
InChIKeyCLTQYLBWEOFHLF-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.20
Rot. Bonds6

About 2-(3-ethylcyclohexyl)-1-(2-methylpropylamino)propan-2-ol

2-(3-ethylcyclohexyl)-1-(2-methylpropylamino)propan-2-ol (PubChem CID 66037758) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)-1-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)-1-(2-methylpropylamino)propan-2-ol
PubChem CID66037758
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-(3-ethylcyclohexyl)-1-(2-methylpropylamino)propan-2-ol
SMILESCCC1CCCC(C(C)(O)CNCC(C)C)C1
InChIInChI=1S/C15H31NO/c1-5-13-7-6-8-14(9-13)15(4,17)11-16-10-12(2)3/h12-14,16-17H,5-11H2,1-4H3
InChIKeyCLTQYLBWEOFHLF-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)-1-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 2-(3-ethylcyclohexyl)-1-(2-methylpropylamino)propan-2-ol (CID 66037758) is 2-(3-ethylcyclohexyl)-1-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 2-(3-ethylcyclohexyl)-1-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 2-(3-ethylcyclohexyl)-1-(2-methylpropylamino)propan-2-ol is CCC1CCCC(C(C)(O)CNCC(C)C)C1.
What is the InChIKey of 2-(3-ethylcyclohexyl)-1-(2-methylpropylamino)propan-2-ol?
The InChIKey is CLTQYLBWEOFHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-13-7-6-8-14(9-13)15(4,17)11-16-10-12(2)3/h12-14,16-17H,5-11H2,1-4H3.
What are the key properties of 2-(3-ethylcyclohexyl)-1-(2-methylpropylamino)propan-2-ol?
2-(3-ethylcyclohexyl)-1-(2-methylpropylamino)propan-2-ol has a molecular weight of 241.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)-1-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 66037758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).