2-(1-adamantylmethylamino)propan-1-ol;hydrochloride

C14H26ClNO — CID 2882245

IUPAC2-(1-adamantylmethylamino)propan-1-ol;hydrochloride
SMILESCC(CO)NCC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C14H25NO.ClH/c1-10(8-16)15-9-14-5-11-2-12(6-14)4-13(3-11)7-14;/h10-13,15-16H,2-9H2,1H3;1H
InChIKeyXYJCDBJQXMEATD-UHFFFAOYSA-N
MW259.82 g/mol
LogP2.60
Rot. Bonds4

About 2-(1-adamantylmethylamino)propan-1-ol;hydrochloride

2-(1-adamantylmethylamino)propan-1-ol;hydrochloride (PubChem CID 2882245) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is 2-(1-adamantylmethylamino)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-(1-adamantylmethylamino)propan-1-ol;hydrochloride
PubChem CID2882245
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC Name2-(1-adamantylmethylamino)propan-1-ol;hydrochloride
SMILESCC(CO)NCC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C14H25NO.ClH/c1-10(8-16)15-9-14-5-11-2-12(6-14)4-13(3-11)7-14;/h10-13,15-16H,2-9H2,1H3;1H
InChIKeyXYJCDBJQXMEATD-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylmethylamino)propan-1-ol;hydrochloride?
The IUPAC name of 2-(1-adamantylmethylamino)propan-1-ol;hydrochloride (CID 2882245) is 2-(1-adamantylmethylamino)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-(1-adamantylmethylamino)propan-1-ol;hydrochloride?
The canonical SMILES for 2-(1-adamantylmethylamino)propan-1-ol;hydrochloride is CC(CO)NCC12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 2-(1-adamantylmethylamino)propan-1-ol;hydrochloride?
The InChIKey is XYJCDBJQXMEATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO.ClH/c1-10(8-16)15-9-14-5-11-2-12(6-14)4-13(3-11)7-14;/h10-13,15-16H,2-9H2,1H3;1H.
What are the key properties of 2-(1-adamantylmethylamino)propan-1-ol;hydrochloride?
2-(1-adamantylmethylamino)propan-1-ol;hydrochloride has a molecular weight of 259.82 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylmethylamino)propan-1-ol;hydrochloride is sourced from PubChem (CID 2882245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).