2-[[3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-(2-hydroxyethyl)amino]ethanol

C18H36N2O4 — CID 2750639

IUPAC2-[[3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-(2-hydroxyethyl)amino]ethanol
SMILESCC1(C)C2CCC1(C)C(N(CCO)CCO)C2N(CCO)CCO
InChIInChI=1S/C18H36N2O4/c1-17(2)14-4-5-18(17,3)16(20(8-12-23)9-13-24)15(14)19(6-10-21)7-11-22/h14-16,21-24H,4-13H2,1-3H3
InChIKeyGMSYVWLXCRWKNV-UHFFFAOYSA-N
MW344.50 g/mol
LogP-0.25
Rot. Bonds10

About 2-[[3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-(2-hydroxyethyl)amino]ethanol

2-[[3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 2750639) has the molecular formula C18H36N2O4 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-[[3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID2750639
Molecular FormulaC18H36N2O4
Molecular Weight344.50 g/mol
Exact Mass344.27
IUPAC Name2-[[3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-(2-hydroxyethyl)amino]ethanol
SMILESCC1(C)C2CCC1(C)C(N(CCO)CCO)C2N(CCO)CCO
InChIInChI=1S/C18H36N2O4/c1-17(2)14-4-5-18(17,3)16(20(8-12-23)9-13-24)15(14)19(6-10-21)7-11-22/h14-16,21-24H,4-13H2,1-3H3
InChIKeyGMSYVWLXCRWKNV-UHFFFAOYSA-N
XLogP-0.25
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-(2-hydroxyethyl)amino]ethanol (CID 2750639) is 2-[[3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-(2-hydroxyethyl)amino]ethanol is CC1(C)C2CCC1(C)C(N(CCO)CCO)C2N(CCO)CCO.
What is the InChIKey of 2-[[3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is GMSYVWLXCRWKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O4/c1-17(2)14-4-5-18(17,3)16(20(8-12-23)9-13-24)15(14)19(6-10-21)7-11-22/h14-16,21-24H,4-13H2,1-3H3.
What are the key properties of 2-[[3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-(2-hydroxyethyl)amino]ethanol?
2-[[3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 344.50 g/mol, XLogP of -0.25, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 2750639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).