2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol

C17H36N2O2 — CID 62610825

IUPAC2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
SMILESCCCNC1CCC(CCC)CC1CN(CCO)CCO
InChIInChI=1S/C17H36N2O2/c1-3-5-15-6-7-17(18-8-4-2)16(13-15)14-19(9-11-20)10-12-21/h15-18,20-21H,3-14H2,1-2H3
InChIKeyWKJBKZJBRDENQG-UHFFFAOYSA-N
MW300.49 g/mol
LogP1.86
Rot. Bonds11

About 2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol

2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol (PubChem CID 62610825) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
PubChem CID62610825
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
SMILESCCCNC1CCC(CCC)CC1CN(CCO)CCO
InChIInChI=1S/C17H36N2O2/c1-3-5-15-6-7-17(18-8-4-2)16(13-15)14-19(9-11-20)10-12-21/h15-18,20-21H,3-14H2,1-2H3
InChIKeyWKJBKZJBRDENQG-UHFFFAOYSA-N
XLogP1.86
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62610130
2-[[2-(ethylamino)-5-propylcyclohexyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62610658
2-[[2-(ethylamino)-5-propylcyclohexyl]methyl-propylamino]ethanol
CID 62610162
2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 63493495
2-[[ethyl(2-methoxyethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine
CID 63495212
2-[(2-amino-5-propylcyclohexyl)methyl-propylamino]ethanol
CID 62610160
2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 107486531
2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine
CID 63483809
4-ethyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63483081
2-[cyclopropyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 55094432
1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
CID 62614801
2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine
CID 82929498

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol (CID 62610825) is 2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol is CCCNC1CCC(CCC)CC1CN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol?
The InChIKey is WKJBKZJBRDENQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-3-5-15-6-7-17(18-8-4-2)16(13-15)14-19(9-11-20)10-12-21/h15-18,20-21H,3-14H2,1-2H3.
What are the key properties of 2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol?
2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol has a molecular weight of 300.49 g/mol, XLogP of 1.86, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol is sourced from PubChem (CID 62610825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).