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

C17H31NO — CID 2882868

IUPAC2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol
SMILESCC(C)(C)CNC(CO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H31NO/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
InChIKeyZKSWSDRTIKENEQ-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.20
Rot. Bonds4

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

2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol (PubChem CID 2882868) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol.

Molecular Properties

Compound Name2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol
PubChem CID2882868
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol
SMILESCC(C)(C)CNC(CO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H31NO/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
InChIKeyZKSWSDRTIKENEQ-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Adamantan-1-yl)-2-aminoethan-1-ol
CID 2835979
Cambridge id 6045519
CID 2882245
2-[(Adamantan-1-ylmethyl)-amino]-ethanol
CID 3162226
1-(1-Adamantyl)-2-(cyclohexylamino)-1-propanol hydrochloride
CID 2858298
2-(1-Adamantyl)-2-[(2,2-dimethylpropyl)amino]ethanol hydrochloride
CID 2882867
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-[2-(1-Adamantylmethylamino)ethylamino]butan-1-ol
CID 16076273

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol?
The IUPAC name of 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol (CID 2882868) is 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol.
What is the SMILES notation for 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol?
The canonical SMILES for 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol is CC(C)(C)CNC(CO)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol?
The InChIKey is ZKSWSDRTIKENEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/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.
What are the key properties of 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol?
2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol has a molecular weight of 265.44 g/mol, XLogP of 3.20, 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 is sourced from PubChem (CID 2882868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).