2-[2-(1-adamantyl)ethyl-cyclopentylamino]ethanol

C19H33NO — CID 63468880

IUPAC2-[2-(1-adamantyl)ethyl-cyclopentylamino]ethanol
SMILESOCCN(CCC12CC3CC(CC(C3)C1)C2)C1CCCC1
InChIInChI=1S/C19H33NO/c21-8-7-20(18-3-1-2-4-18)6-5-19-12-15-9-16(13-19)11-17(10-15)14-19/h15-18,21H,1-14H2
InChIKeyBEHYAOVKTNVCIS-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.83
Rot. Bonds6

About 2-[2-(1-adamantyl)ethyl-cyclopentylamino]ethanol

2-[2-(1-adamantyl)ethyl-cyclopentylamino]ethanol (PubChem CID 63468880) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-[2-(1-adamantyl)ethyl-cyclopentylamino]ethanol.

Molecular Properties

Compound Name2-[2-(1-adamantyl)ethyl-cyclopentylamino]ethanol
PubChem CID63468880
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-[2-(1-adamantyl)ethyl-cyclopentylamino]ethanol
SMILESOCCN(CCC12CC3CC(CC(C3)C1)C2)C1CCCC1
InChIInChI=1S/C19H33NO/c21-8-7-20(18-3-1-2-4-18)6-5-19-12-15-9-16(13-19)11-17(10-15)14-19/h15-18,21H,1-14H2
InChIKeyBEHYAOVKTNVCIS-UHFFFAOYSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol
CID 60692321
3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol
CID 114230783
2-[3-chloropropyl(cyclopentyl)amino]ethanol
CID 55208194
3-[cyclopropyl(2-hydroxyethyl)amino]propan-1-ol
CID 61067850
2-[cyclopentyl(3,3,3-trifluoropropyl)amino]ethanol
CID 64567596
2-[2-chloroprop-2-enyl(cyclopentyl)amino]ethanol
CID 62014468
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
3-[cyclohexyl(2-hydroxyethyl)amino]propanal
CID 63039607
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol
CID 102676970
2-[cyclopentyl(4-methoxybutyl)amino]ethanol
CID 115679647

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-adamantyl)ethyl-cyclopentylamino]ethanol?
The IUPAC name of 2-[2-(1-adamantyl)ethyl-cyclopentylamino]ethanol (CID 63468880) is 2-[2-(1-adamantyl)ethyl-cyclopentylamino]ethanol.
What is the SMILES notation for 2-[2-(1-adamantyl)ethyl-cyclopentylamino]ethanol?
The canonical SMILES for 2-[2-(1-adamantyl)ethyl-cyclopentylamino]ethanol is OCCN(CCC12CC3CC(CC(C3)C1)C2)C1CCCC1.
What is the InChIKey of 2-[2-(1-adamantyl)ethyl-cyclopentylamino]ethanol?
The InChIKey is BEHYAOVKTNVCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c21-8-7-20(18-3-1-2-4-18)6-5-19-12-15-9-16(13-19)11-17(10-15)14-19/h15-18,21H,1-14H2.
What are the key properties of 2-[2-(1-adamantyl)ethyl-cyclopentylamino]ethanol?
2-[2-(1-adamantyl)ethyl-cyclopentylamino]ethanol has a molecular weight of 291.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-adamantyl)ethyl-cyclopentylamino]ethanol is sourced from PubChem (CID 63468880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).