trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine;hydrochloride

C10H23ClN2O — CID 66594094

IUPACtrans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine;hydrochloride
SMILESCOCCNC[C@@H]1CCCC[C@@H]1N.Cl
InChIInChI=1S/C10H22N2O.ClH/c1-13-7-6-12-8-9-4-2-3-5-10(9)11;/h9-10,12H,2-8,11H2,1H3;1H/t9-,10-;/m0./s1
InChIKeyROBCADRBALBYKE-IYPAPVHQSA-N
MW222.76 g/mol
LogP1.16
Rot. Bonds5

About trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine;hydrochloride

trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine;hydrochloride (PubChem CID 66594094) has the molecular formula C10H23ClN2O and a molecular weight of 222.76 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine;hydrochloride
PubChem CID66594094
Molecular FormulaC10H23ClN2O
Molecular Weight222.76 g/mol
Exact Mass222.15
IUPAC Nametrans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine;hydrochloride
SMILESCOCCNC[C@@H]1CCCC[C@@H]1N.Cl
InChIInChI=1S/C10H22N2O.ClH/c1-13-7-6-12-8-9-4-2-3-5-10(9)11;/h9-10,12H,2-8,11H2,1H3;1H/t9-,10-;/m0./s1
InChIKeyROBCADRBALBYKE-IYPAPVHQSA-N
XLogP1.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine;hydrochloride?
The IUPAC name of trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine;hydrochloride (CID 66594094) is trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine;hydrochloride is COCCNC[C@@H]1CCCC[C@@H]1N.Cl.
What is the InChIKey of trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine;hydrochloride?
The InChIKey is ROBCADRBALBYKE-IYPAPVHQSA-N. The full InChI is InChI=1S/C10H22N2O.ClH/c1-13-7-6-12-8-9-4-2-3-5-10(9)11;/h9-10,12H,2-8,11H2,1H3;1H/t9-,10-;/m0./s1.
What are the key properties of trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine;hydrochloride?
trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine;hydrochloride has a molecular weight of 222.76 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 66594094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).