2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol;hydrochloride

C17H32ClNO — CID 2882867

IUPAC2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol;hydrochloride
SMILESCC(C)(C)CNC(CO)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C17H31NO.ClH/c1-16(2,3)11-18-15(10-19)17-7-12-4-13(8-17)6-14(5-12)9-17;/h12-15,18-19H,4-11H2,1-3H3;1H
InChIKeyVFHQPLSGRWTVAS-UHFFFAOYSA-N
MW301.90 g/mol
LogP3.62
Rot. Bonds4

About 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol;hydrochloride

2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol;hydrochloride (PubChem CID 2882867) has the molecular formula C17H32ClNO and a molecular weight of 301.90 g/mol. Its IUPAC name is 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol;hydrochloride
PubChem CID2882867
Molecular FormulaC17H32ClNO
Molecular Weight301.90 g/mol
Exact Mass301.22
IUPAC Name2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol;hydrochloride
SMILESCC(C)(C)CNC(CO)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C17H31NO.ClH/c1-16(2,3)11-18-15(10-19)17-7-12-4-13(8-17)6-14(5-12)9-17;/h12-15,18-19H,4-11H2,1-3H3;1H
InChIKeyVFHQPLSGRWTVAS-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.90
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Adamantan-1-yl)-2-aminoethan-1-ol
CID 2835979
Cambridge id 6045519
CID 2882245
1-(1-Adamantyl)-2-(cyclohexylamino)-1-propanol hydrochloride
CID 2858298
2-Adamantan-1-yl-2-amino-ethanol
CID 2835978
Adamantane, 1-(2-(2-hydroxyethyl)aminopropyl)-, hydrochloride
CID 36011
2-[(1-Adamantylmethyl)amino]-1-propanol
CID 2882246
(1R,2S)-1-(1-adamantyl)-1-aminopropan-2-ol;hydrochloride
CID 145983910
2-(1-Adamantylmethylamino)-3-methylbutan-1-ol
CID 23990757
2-(Cyclohexylamino)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propan-1-ol
CID 2858299
2-(1-Adamantyl)-2-(neopentylamino)ethanol
CID 2882868
2-[2-(1-Adamantylmethylamino)ethylamino]butan-1-ol
CID 16076273
(R)-2-(Adamantan-1-yl)-2-aminoethanol
CID 789781

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol;hydrochloride?
The IUPAC name of 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol;hydrochloride (CID 2882867) is 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol;hydrochloride.
What is the SMILES notation for 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol;hydrochloride?
The canonical SMILES for 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol;hydrochloride is CC(C)(C)CNC(CO)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol;hydrochloride?
The InChIKey is VFHQPLSGRWTVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO.ClH/c1-16(2,3)11-18-15(10-19)17-7-12-4-13(8-17)6-14(5-12)9-17;/h12-15,18-19H,4-11H2,1-3H3;1H.
What are the key properties of 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol;hydrochloride?
2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol;hydrochloride has a molecular weight of 301.90 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol;hydrochloride is sourced from PubChem (CID 2882867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).