1-(1-adamantyl)-2-(4-methylazepan-1-yl)ethanol

C19H33NO — CID 63622472

IUPAC1-(1-adamantyl)-2-(4-methylazepan-1-yl)ethanol
SMILESCC1CCCN(CC(O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H33NO/c1-14-3-2-5-20(6-4-14)13-18(21)19-10-15-7-16(11-19)9-17(8-15)12-19/h14-18,21H,2-13H2,1H3
InChIKeyLMNCIEJLNICRPY-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.69
Rot. Bonds3

About 1-(1-adamantyl)-2-(4-methylazepan-1-yl)ethanol

1-(1-adamantyl)-2-(4-methylazepan-1-yl)ethanol (PubChem CID 63622472) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(4-methylazepan-1-yl)ethanol.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(4-methylazepan-1-yl)ethanol
PubChem CID63622472
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(1-adamantyl)-2-(4-methylazepan-1-yl)ethanol
SMILESCC1CCCN(CC(O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H33NO/c1-14-3-2-5-20(6-4-14)13-18(21)19-10-15-7-16(11-19)9-17(8-15)12-19/h14-18,21H,2-13H2,1H3
InChIKeyLMNCIEJLNICRPY-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanol
CID 64599683
1-chloro-3-(4-methylazepan-1-yl)propan-2-ol
CID 112561671
1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol
CID 115475343
ethyl 2-amino-3-(4-methylazepan-1-yl)propanoate
CID 63623582
(2R)-1-(4-methylazepan-1-yl)butan-2-amine
CID 130522357
1-(1-adamantyl)-N-methyl-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 63467939
1-(2-chloroprop-2-enyl)-4-methylazepane
CID 130709084
3,3-dimethyl-4-(4-methylazepan-1-yl)butan-2-ol
CID 66453480
1-(4-methylazepan-1-yl)pentan-2-amine
CID 63624430
N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine
CID 63622402
3-(4-methylazepan-1-yl)-2-(propylamino)propan-1-ol
CID 64789180
methyl 2-(methylamino)-3-(4-methylazepan-1-yl)propanoate
CID 63623762

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(4-methylazepan-1-yl)ethanol?
The IUPAC name of 1-(1-adamantyl)-2-(4-methylazepan-1-yl)ethanol (CID 63622472) is 1-(1-adamantyl)-2-(4-methylazepan-1-yl)ethanol.
What is the SMILES notation for 1-(1-adamantyl)-2-(4-methylazepan-1-yl)ethanol?
The canonical SMILES for 1-(1-adamantyl)-2-(4-methylazepan-1-yl)ethanol is CC1CCCN(CC(O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-(1-adamantyl)-2-(4-methylazepan-1-yl)ethanol?
The InChIKey is LMNCIEJLNICRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-14-3-2-5-20(6-4-14)13-18(21)19-10-15-7-16(11-19)9-17(8-15)12-19/h14-18,21H,2-13H2,1H3.
What are the key properties of 1-(1-adamantyl)-2-(4-methylazepan-1-yl)ethanol?
1-(1-adamantyl)-2-(4-methylazepan-1-yl)ethanol has a molecular weight of 291.48 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(4-methylazepan-1-yl)ethanol is sourced from PubChem (CID 63622472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).