1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N-methylmethanamine;hydrochloride

C22H32ClNO — CID 46932395

IUPAC1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1COC(c2ccccc2)(C23CC4CC(CC(C4)C2)C3)C1.Cl
InChIInChI=1S/C22H31NO.ClH/c1-23-14-19-13-22(24-15-19,20-5-3-2-4-6-20)21-10-16-7-17(11-21)9-18(8-16)12-21;/h2-6,16-19,23H,7-15H2,1H3;1H
InChIKeyOMRSKLUDPXSWSX-UHFFFAOYSA-N
MW361.96 g/mol
LogP4.78
Rot. Bonds4

About 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N-methylmethanamine;hydrochloride

1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N-methylmethanamine;hydrochloride (PubChem CID 46932395) has the molecular formula C22H32ClNO and a molecular weight of 361.96 g/mol. Its IUPAC name is 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N-methylmethanamine;hydrochloride
PubChem CID46932395
Molecular FormulaC22H32ClNO
Molecular Weight361.96 g/mol
Exact Mass361.22
IUPAC Name1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1COC(c2ccccc2)(C23CC4CC(CC(C4)C2)C3)C1.Cl
InChIInChI=1S/C22H31NO.ClH/c1-23-14-19-13-22(24-15-19,20-5-3-2-4-6-20)21-10-16-7-17(11-21)9-18(8-16)12-21;/h2-6,16-19,23H,7-15H2,1H3;1H
InChIKeyOMRSKLUDPXSWSX-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.96
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N-methylmethanamine;hydrochloride (CID 46932395) is 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N-methylmethanamine;hydrochloride is CNCC1COC(c2ccccc2)(C23CC4CC(CC(C4)C2)C3)C1.Cl.
What is the InChIKey of 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is OMRSKLUDPXSWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO.ClH/c1-23-14-19-13-22(24-15-19,20-5-3-2-4-6-20)21-10-16-7-17(11-21)9-18(8-16)12-21;/h2-6,16-19,23H,7-15H2,1H3;1H.
What are the key properties of 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N-methylmethanamine;hydrochloride?
1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 361.96 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 46932395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).