1-(methylaminomethyl)cycloheptan-1-ol;hydrochloride

C9H20ClNO — CID 75481585

IUPAC1-(methylaminomethyl)cycloheptan-1-ol;hydrochloride
SMILESCNCC1(O)CCCCCC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-10-8-9(11)6-4-2-3-5-7-9;/h10-11H,2-8H2,1H3;1H
InChIKeyHBEMDYYKGSIETO-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.71
Rot. Bonds2

About 1-(methylaminomethyl)cycloheptan-1-ol;hydrochloride

1-(methylaminomethyl)cycloheptan-1-ol;hydrochloride (PubChem CID 75481585) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 1-(methylaminomethyl)cycloheptan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(methylaminomethyl)cycloheptan-1-ol;hydrochloride
PubChem CID75481585
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name1-(methylaminomethyl)cycloheptan-1-ol;hydrochloride
SMILESCNCC1(O)CCCCCC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-10-8-9(11)6-4-2-3-5-7-9;/h10-11H,2-8H2,1H3;1H
InChIKeyHBEMDYYKGSIETO-UHFFFAOYSA-N
XLogP1.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(methylaminomethyl)cycloheptan-1-ol;hydrochloride?
The IUPAC name of 1-(methylaminomethyl)cycloheptan-1-ol;hydrochloride (CID 75481585) is 1-(methylaminomethyl)cycloheptan-1-ol;hydrochloride.
What is the SMILES notation for 1-(methylaminomethyl)cycloheptan-1-ol;hydrochloride?
The canonical SMILES for 1-(methylaminomethyl)cycloheptan-1-ol;hydrochloride is CNCC1(O)CCCCCC1.Cl.
What is the InChIKey of 1-(methylaminomethyl)cycloheptan-1-ol;hydrochloride?
The InChIKey is HBEMDYYKGSIETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-10-8-9(11)6-4-2-3-5-7-9;/h10-11H,2-8H2,1H3;1H.
What are the key properties of 1-(methylaminomethyl)cycloheptan-1-ol;hydrochloride?
1-(methylaminomethyl)cycloheptan-1-ol;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylaminomethyl)cycloheptan-1-ol;hydrochloride is sourced from PubChem (CID 75481585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).