4-[(2-methoxyethylamino)methyl]cyclohexan-1-amine

C10H22N2O — CID 62542667

IUPAC4-[(2-methoxyethylamino)methyl]cyclohexan-1-amine
SMILESCOCCNCC1CCC(N)CC1
InChIInChI=1S/C10H22N2O/c1-13-7-6-12-8-9-2-4-10(11)5-3-9/h9-10,12H,2-8,11H2,1H3
InChIKeyUULZKCOQPSJBBF-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.74
Rot. Bonds5

About 4-[(2-methoxyethylamino)methyl]cyclohexan-1-amine

4-[(2-methoxyethylamino)methyl]cyclohexan-1-amine (PubChem CID 62542667) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-[(2-methoxyethylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2-methoxyethylamino)methyl]cyclohexan-1-amine
PubChem CID62542667
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-[(2-methoxyethylamino)methyl]cyclohexan-1-amine
SMILESCOCCNCC1CCC(N)CC1
InChIInChI=1S/C10H22N2O/c1-13-7-6-12-8-9-2-4-10(11)5-3-9/h9-10,12H,2-8,11H2,1H3
InChIKeyUULZKCOQPSJBBF-UHFFFAOYSA-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 4-[(2-methoxyethylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[(2-methoxyethylamino)methyl]cyclohexan-1-amine (CID 62542667) is 4-[(2-methoxyethylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(2-methoxyethylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(2-methoxyethylamino)methyl]cyclohexan-1-amine is COCCNCC1CCC(N)CC1.
What is the InChIKey of 4-[(2-methoxyethylamino)methyl]cyclohexan-1-amine?
The InChIKey is UULZKCOQPSJBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-13-7-6-12-8-9-2-4-10(11)5-3-9/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 4-[(2-methoxyethylamino)methyl]cyclohexan-1-amine?
4-[(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 4-[(2-methoxyethylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62542667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).