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

C10H22N2O — CID 66594095

IUPACtrans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine
SMILESCOCCNC[C@@H]1CCCC[C@@H]1N
InChIInChI=1S/C10H22N2O/c1-13-7-6-12-8-9-4-2-3-5-10(9)11/h9-10,12H,2-8,11H2,1H3/t9-,10-/m0/s1
InChIKeyZUVJTAGTIXKBCW-UWVGGRQHSA-N
MW186.30 g/mol
LogP0.74
Rot. Bonds5

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

trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine (PubChem CID 66594095) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine
PubChem CID66594095
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Nametrans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine
SMILESCOCCNC[C@@H]1CCCC[C@@H]1N
InChIInChI=1S/C10H22N2O/c1-13-7-6-12-8-9-4-2-3-5-10(9)11/h9-10,12H,2-8,11H2,1H3/t9-,10-/m0/s1
InChIKeyZUVJTAGTIXKBCW-UWVGGRQHSA-N
XLogP0.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.74
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?
The IUPAC name of trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine (CID 66594095) is trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine is COCCNC[C@@H]1CCCC[C@@H]1N.
What is the InChIKey of trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine?
The InChIKey is ZUVJTAGTIXKBCW-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H22N2O/c1-13-7-6-12-8-9-4-2-3-5-10(9)11/h9-10,12H,2-8,11H2,1H3/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine?
trans-(1S,2S)-2-[(2-methoxyethylamino)methyl]cyclohexan-1-amine has a molecular weight of 186.30 g/mol, XLogP of 0.74, 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 is sourced from PubChem (CID 66594095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).