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

C18H33NO — CID 60689159

IUPAC2-[2-(1-adamantyl)ethyl-butylamino]ethanol
SMILESCCCCN(CCO)CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H33NO/c1-2-3-5-19(7-8-20)6-4-18-12-15-9-16(13-18)11-17(10-15)14-18/h15-17,20H,2-14H2,1H3
InChIKeySVAYWTXEWOXULJ-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.69
Rot. Bonds8

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

2-[2-(1-adamantyl)ethyl-butylamino]ethanol (PubChem CID 60689159) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-[2-(1-adamantyl)ethyl-butylamino]ethanol.

Molecular Properties

Compound Name2-[2-(1-adamantyl)ethyl-butylamino]ethanol
PubChem CID60689159
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name2-[2-(1-adamantyl)ethyl-butylamino]ethanol
SMILESCCCCN(CCO)CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H33NO/c1-2-3-5-19(7-8-20)6-4-18-12-15-9-16(13-18)11-17(10-15)14-18/h15-17,20H,2-14H2,1H3
InChIKeySVAYWTXEWOXULJ-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol
CID 114230783
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol
CID 60692321
1-hexyladamantane
CID 585171
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
CID 138077793
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
6-(dibutylamino)hexan-1-ol
CID 22218557
2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate
CID 88801518

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-adamantyl)ethyl-butylamino]ethanol?
The IUPAC name of 2-[2-(1-adamantyl)ethyl-butylamino]ethanol (CID 60689159) is 2-[2-(1-adamantyl)ethyl-butylamino]ethanol.
What is the SMILES notation for 2-[2-(1-adamantyl)ethyl-butylamino]ethanol?
The canonical SMILES for 2-[2-(1-adamantyl)ethyl-butylamino]ethanol is CCCCN(CCO)CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[2-(1-adamantyl)ethyl-butylamino]ethanol?
The InChIKey is SVAYWTXEWOXULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-2-3-5-19(7-8-20)6-4-18-12-15-9-16(13-18)11-17(10-15)14-18/h15-17,20H,2-14H2,1H3.
What are the key properties of 2-[2-(1-adamantyl)ethyl-butylamino]ethanol?
2-[2-(1-adamantyl)ethyl-butylamino]ethanol has a molecular weight of 279.47 g/mol, XLogP of 3.69, 8 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-butylamino]ethanol is sourced from PubChem (CID 60689159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).