4-[(dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride

C13H24ClNO — CID 90679204

IUPAC4-[(dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride
SMILESCN(C)CC1(O)CC2CC3CC(C2)C1C3.Cl
InChIInChI=1S/C13H23NO.ClH/c1-14(2)8-13(15)7-10-3-9-4-11(5-10)12(13)6-9;/h9-12,15H,3-8H2,1-2H3;1H
InChIKeyZMHYRAZYBFKNNP-UHFFFAOYSA-N
MW245.79 g/mol
LogP2.16
Rot. Bonds2

About 4-[(dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride

4-[(dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride (PubChem CID 90679204) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride
PubChem CID90679204
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name4-[(dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride
SMILESCN(C)CC1(O)CC2CC3CC(C2)C1C3.Cl
InChIInChI=1S/C13H23NO.ClH/c1-14(2)8-13(15)7-10-3-9-4-11(5-10)12(13)6-9;/h9-12,15H,3-8H2,1-2H3;1H
InChIKeyZMHYRAZYBFKNNP-UHFFFAOYSA-N
XLogP2.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride?
The IUPAC name of 4-[(dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride (CID 90679204) is 4-[(dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride.
What is the SMILES notation for 4-[(dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride?
The canonical SMILES for 4-[(dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride is CN(C)CC1(O)CC2CC3CC(C2)C1C3.Cl.
What is the InChIKey of 4-[(dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride?
The InChIKey is ZMHYRAZYBFKNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.ClH/c1-14(2)8-13(15)7-10-3-9-4-11(5-10)12(13)6-9;/h9-12,15H,3-8H2,1-2H3;1H.
What are the key properties of 4-[(dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride?
4-[(dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride has a molecular weight of 245.79 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride is sourced from PubChem (CID 90679204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).