1-[2-(1-adamantyl)ethoxy]-3-(tert-butylamino)propan-2-ol;hydrochloride

C19H36ClNO2 — CID 2834353

IUPAC1-[2-(1-adamantyl)ethoxy]-3-(tert-butylamino)propan-2-ol;hydrochloride
SMILESCC(C)(C)NCC(O)COCCC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C19H35NO2.ClH/c1-18(2,3)20-12-17(21)13-22-5-4-19-9-14-6-15(10-19)8-16(7-14)11-19;/h14-17,20-21H,4-13H2,1-3H3;1H
InChIKeyKOUVAGQCZLTDHR-UHFFFAOYSA-N
MW345.96 g/mol
LogP3.78
Rot. Bonds7

About 1-[2-(1-adamantyl)ethoxy]-3-(tert-butylamino)propan-2-ol;hydrochloride

1-[2-(1-adamantyl)ethoxy]-3-(tert-butylamino)propan-2-ol;hydrochloride (PubChem CID 2834353) has the molecular formula C19H36ClNO2 and a molecular weight of 345.96 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)ethoxy]-3-(tert-butylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-(1-adamantyl)ethoxy]-3-(tert-butylamino)propan-2-ol;hydrochloride
PubChem CID2834353
Molecular FormulaC19H36ClNO2
Molecular Weight345.96 g/mol
Exact Mass345.24
IUPAC Name1-[2-(1-adamantyl)ethoxy]-3-(tert-butylamino)propan-2-ol;hydrochloride
SMILESCC(C)(C)NCC(O)COCCC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C19H35NO2.ClH/c1-18(2,3)20-12-17(21)13-22-5-4-19-9-14-6-15(10-19)8-16(7-14)11-19;/h14-17,20-21H,4-13H2,1-3H3;1H
InChIKeyKOUVAGQCZLTDHR-UHFFFAOYSA-N
XLogP3.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.96
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1-adamantyl)ethoxy]-3-(1-phenylethylamino)propan-2-ol;hydrochloride
CID 2882626
1-[2-(1-adamantyl)ethoxy]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2882803
(2R)-1-[2-(1-adamantyl)ethoxy]-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 42443395
(2S)-1-(1-adamantylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 41474497
1-[2-(1-adamantyl)ethoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 2870462
(2S)-1-[2-(1-adamantyl)ethoxy]-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol
CID 7482017
(2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol
CID 7058348
1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
CID 45265339
(2S)-1-[2-(1-adamantyl)ethoxy]-3-piperidin-1-ium-1-ylpropan-2-ol
CID 7058426
1-[2-(1-adamantyl)ethoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 2867092
1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol
CID 110181624
1-(tert-butylamino)-3-ethoxypropan-2-ol
CID 63933571

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)ethoxy]-3-(tert-butylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-[2-(1-adamantyl)ethoxy]-3-(tert-butylamino)propan-2-ol;hydrochloride (CID 2834353) is 1-[2-(1-adamantyl)ethoxy]-3-(tert-butylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[2-(1-adamantyl)ethoxy]-3-(tert-butylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[2-(1-adamantyl)ethoxy]-3-(tert-butylamino)propan-2-ol;hydrochloride is CC(C)(C)NCC(O)COCCC12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-[2-(1-adamantyl)ethoxy]-3-(tert-butylamino)propan-2-ol;hydrochloride?
The InChIKey is KOUVAGQCZLTDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2.ClH/c1-18(2,3)20-12-17(21)13-22-5-4-19-9-14-6-15(10-19)8-16(7-14)11-19;/h14-17,20-21H,4-13H2,1-3H3;1H.
What are the key properties of 1-[2-(1-adamantyl)ethoxy]-3-(tert-butylamino)propan-2-ol;hydrochloride?
1-[2-(1-adamantyl)ethoxy]-3-(tert-butylamino)propan-2-ol;hydrochloride has a molecular weight of 345.96 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)ethoxy]-3-(tert-butylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 2834353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).