2-[methyl-[(3-methyl-1-adamantyl)methyl]amino]ethanol

C15H27NO — CID 113408982

IUPAC2-[methyl-[(3-methyl-1-adamantyl)methyl]amino]ethanol
SMILESCN(CCO)CC12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C15H27NO/c1-14-6-12-5-13(7-14)9-15(8-12,10-14)11-16(2)3-4-17/h12-13,17H,3-11H2,1-2H3
InChIKeyODNFZWWJQMCSEN-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.52
Rot. Bonds4

About 2-[methyl-[(3-methyl-1-adamantyl)methyl]amino]ethanol

2-[methyl-[(3-methyl-1-adamantyl)methyl]amino]ethanol (PubChem CID 113408982) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[methyl-[(3-methyl-1-adamantyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[(3-methyl-1-adamantyl)methyl]amino]ethanol
PubChem CID113408982
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[methyl-[(3-methyl-1-adamantyl)methyl]amino]ethanol
SMILESCN(CCO)CC12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C15H27NO/c1-14-6-12-5-13(7-14)9-15(8-12,10-14)11-16(2)3-4-17/h12-13,17H,3-11H2,1-2H3
InChIKeyODNFZWWJQMCSEN-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-1-adamantyl)methanethiol
CID 91806704
2-(3-methyl-1-adamantyl)acetate
CID 5175229
1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine
CID 2794255
3-[[2-hydroxyethyl(methyl)amino]methyl]azetidin-3-ol
CID 174558313
1,3-dimethyladamantane;2-[ethyl(methyl)amino]acetic acid
CID 23009779
3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol
CID 114230783
[(3S,5S)-3,5-dimethyl-1-adamantyl]methanol
CID 98043737
1-methyl-3-(methylsulfanylmethylsulfanylmethyl)adamantane
CID 91249241
N-(1-adamantylmethyl)-N-methylethanamine;hydrochloride
CID 2834337
1,1-difluoro-2-(3-methyl-1-adamantyl)ethanesulfonic acid
CID 123591688
2-bromoethyl 2-(3-methyl-1-adamantyl)acetate
CID 15124082
4-[2-[(5S,7R)-3-methyl-1-adamantyl]acetyl]benzoic acid
CID 102121116

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-methyl-1-adamantyl)methyl]amino]ethanol?
The IUPAC name of 2-[methyl-[(3-methyl-1-adamantyl)methyl]amino]ethanol (CID 113408982) is 2-[methyl-[(3-methyl-1-adamantyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[(3-methyl-1-adamantyl)methyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[(3-methyl-1-adamantyl)methyl]amino]ethanol is CN(CCO)CC12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of 2-[methyl-[(3-methyl-1-adamantyl)methyl]amino]ethanol?
The InChIKey is ODNFZWWJQMCSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-14-6-12-5-13(7-14)9-15(8-12,10-14)11-16(2)3-4-17/h12-13,17H,3-11H2,1-2H3.
What are the key properties of 2-[methyl-[(3-methyl-1-adamantyl)methyl]amino]ethanol?
2-[methyl-[(3-methyl-1-adamantyl)methyl]amino]ethanol has a molecular weight of 237.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-methyl-1-adamantyl)methyl]amino]ethanol is sourced from PubChem (CID 113408982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).