1-(1-adamantylmethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride

C17H32ClNO2 — CID 18593191

IUPAC1-(1-adamantylmethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COCC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C17H31NO2.ClH/c1-12(2)18-9-16(19)10-20-11-17-6-13-3-14(7-17)5-15(4-13)8-17;/h12-16,18-19H,3-11H2,1-2H3;1H
InChIKeyCCGGLIHEQAFXIV-UHFFFAOYSA-N
MW317.90 g/mol
LogP3.00
Rot. Bonds7

About 1-(1-adamantylmethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride

1-(1-adamantylmethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 18593191) has the molecular formula C17H32ClNO2 and a molecular weight of 317.90 g/mol. Its IUPAC name is 1-(1-adamantylmethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantylmethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID18593191
Molecular FormulaC17H32ClNO2
Molecular Weight317.90 g/mol
Exact Mass317.21
IUPAC Name1-(1-adamantylmethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COCC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C17H31NO2.ClH/c1-12(2)18-9-16(19)10-20-11-17-6-13-3-14(7-17)5-15(4-13)8-17;/h12-16,18-19H,3-11H2,1-2H3;1H
InChIKeyCCGGLIHEQAFXIV-UHFFFAOYSA-N
XLogP3.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.90
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(1-adamantylmethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 18593191) is 1-(1-adamantylmethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(1-adamantylmethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(1-adamantylmethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride is CC(C)NCC(O)COCC12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-(1-adamantylmethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is CCGGLIHEQAFXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2.ClH/c1-12(2)18-9-16(19)10-20-11-17-6-13-3-14(7-17)5-15(4-13)8-17;/h12-16,18-19H,3-11H2,1-2H3;1H.
What are the key properties of 1-(1-adamantylmethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
1-(1-adamantylmethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 317.90 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylmethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 18593191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).