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

C19H33NO — CID 2858299

IUPAC1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol
SMILESCC(NC1CCCCC1)C(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33NO/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
InChIKeyQHPUFCJLHPLOQB-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.87
Rot. Bonds4

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

1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol (PubChem CID 2858299) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol
PubChem CID2858299
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol
SMILESCC(NC1CCCCC1)C(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33NO/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
InChIKeyQHPUFCJLHPLOQB-UHFFFAOYSA-N
XLogP3.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.87
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?
The IUPAC name of 1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol (CID 2858299) is 1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol.
What is the SMILES notation for 1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol?
The canonical SMILES for 1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol is CC(NC1CCCCC1)C(O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol?
The InChIKey is QHPUFCJLHPLOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/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.
What are the key properties of 1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol?
1-(1-adamantyl)-2-(cyclohexylamino)propan-1-ol has a molecular weight of 291.48 g/mol, XLogP of 3.87, 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 is sourced from PubChem (CID 2858299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).