trans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride

C9H20ClNO — CID 2725085

IUPACtrans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride
SMILESCl.NC[C@@H]1CCCCCC[C@@H]1O
InChIInChI=1S/C9H19NO.ClH/c10-7-8-5-3-1-2-4-6-9(8)11;/h8-9,11H,1-7,10H2;1H/t8-,9-;/m0./s1
InChIKeyWIHTURVBXVPPOK-OZZZDHQUSA-N
MW193.72 g/mol
LogP1.70
Rot. Bonds1

About trans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride

trans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride (PubChem CID 2725085) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is trans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride
PubChem CID2725085
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Nametrans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride
SMILESCl.NC[C@@H]1CCCCCC[C@@H]1O
InChIInChI=1S/C9H19NO.ClH/c10-7-8-5-3-1-2-4-6-9(8)11;/h8-9,11H,1-7,10H2;1H/t8-,9-;/m0./s1
InChIKeyWIHTURVBXVPPOK-OZZZDHQUSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride?
The IUPAC name of trans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride (CID 2725085) is trans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride.
What is the SMILES notation for trans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride?
The canonical SMILES for trans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride is Cl.NC[C@@H]1CCCCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride?
The InChIKey is WIHTURVBXVPPOK-OZZZDHQUSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c10-7-8-5-3-1-2-4-6-9(8)11;/h8-9,11H,1-7,10H2;1H/t8-,9-;/m0./s1.
What are the key properties of trans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride?
trans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride is sourced from PubChem (CID 2725085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).