2-[1-adamantylmethyl-[(3-cyclopropylimidazol-4-yl)methyl]amino]ethanol

C20H31N3O — CID 91842916

IUPAC2-[1-adamantylmethyl-[(3-cyclopropylimidazol-4-yl)methyl]amino]ethanol
SMILESOCCN(Cc1cncn1C1CC1)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H31N3O/c24-4-3-22(12-19-11-21-14-23(19)18-1-2-18)13-20-8-15-5-16(9-20)7-17(6-15)10-20/h11,14-18,24H,1-10,12-13H2
InChIKeyZOQJSGZOOFADGU-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.23
Rot. Bonds7

About 2-[1-adamantylmethyl-[(3-cyclopropylimidazol-4-yl)methyl]amino]ethanol

2-[1-adamantylmethyl-[(3-cyclopropylimidazol-4-yl)methyl]amino]ethanol (PubChem CID 91842916) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-[1-adamantylmethyl-[(3-cyclopropylimidazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[1-adamantylmethyl-[(3-cyclopropylimidazol-4-yl)methyl]amino]ethanol
PubChem CID91842916
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-[1-adamantylmethyl-[(3-cyclopropylimidazol-4-yl)methyl]amino]ethanol
SMILESOCCN(Cc1cncn1C1CC1)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H31N3O/c24-4-3-22(12-19-11-21-14-23(19)18-1-2-18)13-20-8-15-5-16(9-20)7-17(6-15)10-20/h11,14-18,24H,1-10,12-13H2
InChIKeyZOQJSGZOOFADGU-UHFFFAOYSA-N
XLogP3.23
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-Adamantyl)ethyl]-2-n-butyl-5-hydroxymethyl-imidazole
CID 19936860
2-[4-(1-Adamantyl)-2-methylimidazol-1-yl]ethanol
CID 12006711
1-(1-adamantyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62998786
1-(1-adamantyl)-N-[(3-ethylimidazol-4-yl)methyl]ethanamine
CID 66118439
2-[Cyclohexyl-[(3-cyclopropylimidazol-4-yl)methyl]amino]ethanol
CID 66146131
N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-1-amine
CID 66164061
N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-2-amine
CID 66164299
[1-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol
CID 70717544
[1-(1-Adamantylmethyl)imidazol-4-yl]methanamine
CID 84091097
[1-[1-(1-Adamantyl)ethyl]imidazol-4-yl]methanamine
CID 84094993
[1-[2-(1-Adamantyl)ethyl]imidazol-4-yl]methanamine
CID 84094995
1-[1-(1-adamantylmethyl)imidazol-4-yl]-N-methylmethanamine
CID 84099213

Frequently Asked Questions

What is the IUPAC name of 2-[1-adamantylmethyl-[(3-cyclopropylimidazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[1-adamantylmethyl-[(3-cyclopropylimidazol-4-yl)methyl]amino]ethanol (CID 91842916) is 2-[1-adamantylmethyl-[(3-cyclopropylimidazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[1-adamantylmethyl-[(3-cyclopropylimidazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[1-adamantylmethyl-[(3-cyclopropylimidazol-4-yl)methyl]amino]ethanol is OCCN(Cc1cncn1C1CC1)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[1-adamantylmethyl-[(3-cyclopropylimidazol-4-yl)methyl]amino]ethanol?
The InChIKey is ZOQJSGZOOFADGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c24-4-3-22(12-19-11-21-14-23(19)18-1-2-18)13-20-8-15-5-16(9-20)7-17(6-15)10-20/h11,14-18,24H,1-10,12-13H2.
What are the key properties of 2-[1-adamantylmethyl-[(3-cyclopropylimidazol-4-yl)methyl]amino]ethanol?
2-[1-adamantylmethyl-[(3-cyclopropylimidazol-4-yl)methyl]amino]ethanol has a molecular weight of 329.49 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-adamantylmethyl-[(3-cyclopropylimidazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 91842916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).