1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol;hydrochloride

C19H34ClNO — CID 2858298

IUPAC1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol;hydrochloride
SMILESCC(NC1CCCCC1)C(O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C19H33NO.ClH/c1-13(20-17-5-3-2-4-6-17)18(21)19-10-14-7-15(11-19)9-16(8-14)12-19;/h13-18,20-21H,2-12H2,1H3;1H
InChIKeyXFWRXTIGTLDQAZ-UHFFFAOYSA-N
MW327.94 g/mol
LogP4.30
Rot. Bonds4

About 1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol;hydrochloride

1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol;hydrochloride (PubChem CID 2858298) has the molecular formula C19H34ClNO and a molecular weight of 327.94 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol;hydrochloride
PubChem CID2858298
Molecular FormulaC19H34ClNO
Molecular Weight327.94 g/mol
Exact Mass327.23
IUPAC Name1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol;hydrochloride
SMILESCC(NC1CCCCC1)C(O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C19H33NO.ClH/c1-13(20-17-5-3-2-4-6-17)18(21)19-10-14-7-15(11-19)9-16(8-14)12-19;/h13-18,20-21H,2-12H2,1H3;1H
InChIKeyXFWRXTIGTLDQAZ-UHFFFAOYSA-N
XLogP4.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.94
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol;hydrochloride?
The IUPAC name of 1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol;hydrochloride (CID 2858298) is 1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol;hydrochloride.
What is the SMILES notation for 1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol;hydrochloride?
The canonical SMILES for 1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol;hydrochloride is CC(NC1CCCCC1)C(O)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol;hydrochloride?
The InChIKey is XFWRXTIGTLDQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO.ClH/c1-13(20-17-5-3-2-4-6-17)18(21)19-10-14-7-15(11-19)9-16(8-14)12-19;/h13-18,20-21H,2-12H2,1H3;1H.
What are the key properties of 1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol;hydrochloride?
1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol;hydrochloride has a molecular weight of 327.94 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol;hydrochloride is sourced from PubChem (CID 2858298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).