cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride

C7H16ClNO — CID 67541561

IUPACcis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride
SMILESCO[C@@H]1CCCC[C@@H]1N.Cl
InChIInChI=1S/C7H15NO.ClH/c1-9-7-5-3-2-4-6(7)8;/h6-7H,2-5,8H2,1H3;1H/t6-,7+;/m0./s1
InChIKeyIFYWPFJJXZHMCZ-UOERWJHTSA-N
MW165.66 g/mol
LogP1.32
Rot. Bonds1

About cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride

cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride (PubChem CID 67541561) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride
PubChem CID67541561
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Namecis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride
SMILESCO[C@@H]1CCCC[C@@H]1N.Cl
InChIInChI=1S/C7H15NO.ClH/c1-9-7-5-3-2-4-6(7)8;/h6-7H,2-5,8H2,1H3;1H/t6-,7+;/m0./s1
InChIKeyIFYWPFJJXZHMCZ-UOERWJHTSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride?
The IUPAC name of cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride (CID 67541561) is cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride?
The canonical SMILES for cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride is CO[C@@H]1CCCC[C@@H]1N.Cl.
What is the InChIKey of cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride?
The InChIKey is IFYWPFJJXZHMCZ-UOERWJHTSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-9-7-5-3-2-4-6(7)8;/h6-7H,2-5,8H2,1H3;1H/t6-,7+;/m0./s1.
What are the key properties of cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride?
cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 67541561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).