1-(1-adamantyl)-2-[cyclopentyl(methyl)amino]ethanol

C18H31NO — CID 63470567

IUPAC1-(1-adamantyl)-2-[cyclopentyl(methyl)amino]ethanol
SMILESCN(CC(O)C12CC3CC(CC(C3)C1)C2)C1CCCC1
InChIInChI=1S/C18H31NO/c1-19(16-4-2-3-5-16)12-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-17,20H,2-12H2,1H3
InChIKeyHPEDJNYTXBJRJB-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.44
Rot. Bonds4

About 1-(1-adamantyl)-2-[cyclopentyl(methyl)amino]ethanol

1-(1-adamantyl)-2-[cyclopentyl(methyl)amino]ethanol (PubChem CID 63470567) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-[cyclopentyl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-(1-adamantyl)-2-[cyclopentyl(methyl)amino]ethanol
PubChem CID63470567
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(1-adamantyl)-2-[cyclopentyl(methyl)amino]ethanol
SMILESCN(CC(O)C12CC3CC(CC(C3)C1)C2)C1CCCC1
InChIInChI=1S/C18H31NO/c1-19(16-4-2-3-5-16)12-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-17,20H,2-12H2,1H3
InChIKeyHPEDJNYTXBJRJB-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-[cyclopentyl(methyl)amino]ethanol?
The IUPAC name of 1-(1-adamantyl)-2-[cyclopentyl(methyl)amino]ethanol (CID 63470567) is 1-(1-adamantyl)-2-[cyclopentyl(methyl)amino]ethanol.
What is the SMILES notation for 1-(1-adamantyl)-2-[cyclopentyl(methyl)amino]ethanol?
The canonical SMILES for 1-(1-adamantyl)-2-[cyclopentyl(methyl)amino]ethanol is CN(CC(O)C12CC3CC(CC(C3)C1)C2)C1CCCC1.
What is the InChIKey of 1-(1-adamantyl)-2-[cyclopentyl(methyl)amino]ethanol?
The InChIKey is HPEDJNYTXBJRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-19(16-4-2-3-5-16)12-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-17,20H,2-12H2,1H3.
What are the key properties of 1-(1-adamantyl)-2-[cyclopentyl(methyl)amino]ethanol?
1-(1-adamantyl)-2-[cyclopentyl(methyl)amino]ethanol has a molecular weight of 277.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-[cyclopentyl(methyl)amino]ethanol is sourced from PubChem (CID 63470567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).