[2-tert-butyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol

C17H36N2O — CID 61050407

IUPAC[2-tert-butyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol
SMILESCCN(CC)CCNC1(CO)CCCCC1C(C)(C)C
InChIInChI=1S/C17H36N2O/c1-6-19(7-2)13-12-18-17(14-20)11-9-8-10-15(17)16(3,4)5/h15,18,20H,6-14H2,1-5H3
InChIKeyJMYWXCYMXDDZPD-UHFFFAOYSA-N
MW284.49 g/mol
LogP2.89
Rot. Bonds7

About [2-tert-butyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol

[2-tert-butyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol (PubChem CID 61050407) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is [2-tert-butyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-tert-butyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol
PubChem CID61050407
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name[2-tert-butyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol
SMILESCCN(CC)CCNC1(CO)CCCCC1C(C)(C)C
InChIInChI=1S/C17H36N2O/c1-6-19(7-2)13-12-18-17(14-20)11-9-8-10-15(17)16(3,4)5/h15,18,20H,6-14H2,1-5H3
InChIKeyJMYWXCYMXDDZPD-UHFFFAOYSA-N
XLogP2.89
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol?
The IUPAC name of [2-tert-butyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol (CID 61050407) is [2-tert-butyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-tert-butyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol?
The canonical SMILES for [2-tert-butyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol is CCN(CC)CCNC1(CO)CCCCC1C(C)(C)C.
What is the InChIKey of [2-tert-butyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol?
The InChIKey is JMYWXCYMXDDZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-19(7-2)13-12-18-17(14-20)11-9-8-10-15(17)16(3,4)5/h15,18,20H,6-14H2,1-5H3.
What are the key properties of [2-tert-butyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol?
[2-tert-butyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol has a molecular weight of 284.49 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol is sourced from PubChem (CID 61050407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).