2-[1-adamantylmethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol

C18H31NO2 — CID 95124796

IUPAC2-[1-adamantylmethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol
SMILESOCCN(C[C@H]1CCOC1)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31NO2/c20-3-2-19(11-14-1-4-21-12-14)13-18-8-15-5-16(9-18)7-17(6-15)10-18/h14-17,20H,1-13H2/t14-,15?,16?,17?,18?/m1/s1
InChIKeyWMRTZFPBDGWJTK-CZVCLPBNSA-N
MW293.45 g/mol
LogP2.53
Rot. Bonds6

About 2-[1-adamantylmethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol

2-[1-adamantylmethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol (PubChem CID 95124796) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[1-adamantylmethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[1-adamantylmethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol
PubChem CID95124796
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-[1-adamantylmethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol
SMILESOCCN(C[C@H]1CCOC1)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31NO2/c20-3-2-19(11-14-1-4-21-12-14)13-18-8-15-5-16(9-18)7-17(6-15)10-18/h14-17,20H,1-13H2/t14-,15?,16?,17?,18?/m1/s1
InChIKeyWMRTZFPBDGWJTK-CZVCLPBNSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol
CID 62021134
2-[cyclopropylmethyl-[(4-methyloxan-4-yl)methyl]amino]ethanol
CID 104585548
3-[2-(1-adamantyl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109381598
3-(bromomethyl)oxolane
CID 14173422
2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
CID 47053877
2-[1-adamantylmethyl-[(3-cyclopropylimidazol-4-yl)methyl]amino]ethanol
CID 91842916
3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76910514
2-[2-(1-adamantyl)ethyl-butylamino]ethanol
CID 60689159
1-(1-adamantylmethyl)-2-methyl-3-(oxolan-3-ylmethyl)guanidine
CID 119131182
N-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride
CID 2836011
N-(1-adamantyl)-N-(2-cyanoethyl)-3-(oxolan-3-yl)propanamide
CID 86801348
2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol
CID 124753968

Frequently Asked Questions

What is the IUPAC name of 2-[1-adamantylmethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol?
The IUPAC name of 2-[1-adamantylmethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol (CID 95124796) is 2-[1-adamantylmethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[1-adamantylmethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[1-adamantylmethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol is OCCN(C[C@H]1CCOC1)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[1-adamantylmethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol?
The InChIKey is WMRTZFPBDGWJTK-CZVCLPBNSA-N. The full InChI is InChI=1S/C18H31NO2/c20-3-2-19(11-14-1-4-21-12-14)13-18-8-15-5-16(9-18)7-17(6-15)10-18/h14-17,20H,1-13H2/t14-,15?,16?,17?,18?/m1/s1.
What are the key properties of 2-[1-adamantylmethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol?
2-[1-adamantylmethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol has a molecular weight of 293.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-adamantylmethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol is sourced from PubChem (CID 95124796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).