1-(1-adamantylmethoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol;hydrochloride

C18H34ClNO4 — CID 18593194

IUPAC1-(1-adamantylmethoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol;hydrochloride
SMILESCl.OCCN(CCO)CC(O)COCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H33NO4.ClH/c20-3-1-19(2-4-21)11-17(22)12-23-13-18-8-14-5-15(9-18)7-16(6-14)10-18;/h14-17,20-22H,1-13H2;1H
InChIKeyIEVZKUSDFDEJSM-UHFFFAOYSA-N
MW363.93 g/mol
LogP1.29
Rot. Bonds10

About 1-(1-adamantylmethoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol;hydrochloride

1-(1-adamantylmethoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol;hydrochloride (PubChem CID 18593194) has the molecular formula C18H34ClNO4 and a molecular weight of 363.93 g/mol. Its IUPAC name is 1-(1-adamantylmethoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantylmethoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol;hydrochloride
PubChem CID18593194
Molecular FormulaC18H34ClNO4
Molecular Weight363.93 g/mol
Exact Mass363.22
IUPAC Name1-(1-adamantylmethoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol;hydrochloride
SMILESCl.OCCN(CCO)CC(O)COCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H33NO4.ClH/c20-3-1-19(2-4-21)11-17(22)12-23-13-18-8-14-5-15(9-18)7-16(6-14)10-18;/h14-17,20-22H,1-13H2;1H
InChIKeyIEVZKUSDFDEJSM-UHFFFAOYSA-N
XLogP1.29
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(Adamantan-1-YL)ethoxy]-3-(pyrrolidin-1-YL)propan-2-OL hydrochloride
CID 2882803
1-[2-(1-Adamantyl)ethoxy]-3-(1-piperidinyl)-2-propanol hydrochloride
CID 2769757
1-[2-(1-Adamantyl)ethoxy]-3-(4-methyl-1-piperidinyl)-2-propanol hydrochloride
CID 2834357
1-(Adamantan-2-yloxy)-3-morpholin-4-yl-propan-2-ol
CID 2836050
1-[2-(1-Adamantyl)ethoxy]-3-[bis(2-hydroxyethyl)amino]-2-propanol hydrochloride
CID 2882158
1-[2-(1-Adamantyl)ethoxy]-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 16195939
{3-[2-(Adamantan-1-yl)ethoxy]-2-hydroxypropyl}diethylamine hydrochloride
CID 2769759
4-Morpholineethanol, alpha-(3-adamantylmethoxymethyl)-, hydrochloride
CID 64249
2-Propanol, 1-(1-adamantylmethoxy)-3-(2-butylamino)-, hydrochloride
CID 64262
2-Propanol, 1-(1-adamantylmethoxy)-3-(tert-butylamino)-, hydrochloride
CID 64264
2-Propanol, 1-(1-adamantylmethoxy)-3-dimethylamino-, hydrochloride
CID 64267
2-Propanol, 1-(1-adamantylmethoxy)-3-diisopropylamino-, hydrochloride
CID 64269

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol;hydrochloride?
The IUPAC name of 1-(1-adamantylmethoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol;hydrochloride (CID 18593194) is 1-(1-adamantylmethoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(1-adamantylmethoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(1-adamantylmethoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol;hydrochloride is Cl.OCCN(CCO)CC(O)COCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantylmethoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol;hydrochloride?
The InChIKey is IEVZKUSDFDEJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO4.ClH/c20-3-1-19(2-4-21)11-17(22)12-23-13-18-8-14-5-15(9-18)7-16(6-14)10-18;/h14-17,20-22H,1-13H2;1H.
What are the key properties of 1-(1-adamantylmethoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol;hydrochloride?
1-(1-adamantylmethoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol;hydrochloride has a molecular weight of 363.93 g/mol, XLogP of 1.29, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylmethoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol;hydrochloride is sourced from PubChem (CID 18593194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).