2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol

C17H31NO — CID 60692321

IUPAC2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H31NO/c1-13(2)18(5-6-19)4-3-17-10-14-7-15(11-17)9-16(8-14)12-17/h13-16,19H,3-12H2,1-2H3
InChIKeyXJAMVCKSAPWWSE-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.30
Rot. Bonds6

About 2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol

2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol (PubChem CID 60692321) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol
PubChem CID60692321
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H31NO/c1-13(2)18(5-6-19)4-3-17-10-14-7-15(11-17)9-16(8-14)12-17/h13-16,19H,3-12H2,1-2H3
InChIKeyXJAMVCKSAPWWSE-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol (CID 60692321) is 2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol is CC(C)N(CCO)CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol?
The InChIKey is XJAMVCKSAPWWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-13(2)18(5-6-19)4-3-17-10-14-7-15(11-17)9-16(8-14)12-17/h13-16,19H,3-12H2,1-2H3.
What are the key properties of 2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol?
2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol has a molecular weight of 265.44 g/mol, XLogP of 3.30, 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-propan-2-ylamino]ethanol is sourced from PubChem (CID 60692321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).