1-cyclohexyl-2,2-dimethoxyethanamine

C10H21NO2 — CID 68520972

IUPAC1-cyclohexyl-2,2-dimethoxyethanamine
SMILESCOC(OC)C(N)C1CCCCC1
InChIInChI=1S/C10H21NO2/c1-12-10(13-2)9(11)8-6-4-3-5-7-8/h8-10H,3-7,11H2,1-2H3
InChIKeyMJLMHEIMLDVTQN-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.51
Rot. Bonds4

About 1-cyclohexyl-2,2-dimethoxyethanamine

1-cyclohexyl-2,2-dimethoxyethanamine (PubChem CID 68520972) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-cyclohexyl-2,2-dimethoxyethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2,2-dimethoxyethanamine
PubChem CID68520972
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-cyclohexyl-2,2-dimethoxyethanamine
SMILESCOC(OC)C(N)C1CCCCC1
InChIInChI=1S/C10H21NO2/c1-12-10(13-2)9(11)8-6-4-3-5-7-8/h8-10H,3-7,11H2,1-2H3
InChIKeyMJLMHEIMLDVTQN-UHFFFAOYSA-N
XLogP1.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,2-dimethoxyethanamine?
The IUPAC name of 1-cyclohexyl-2,2-dimethoxyethanamine (CID 68520972) is 1-cyclohexyl-2,2-dimethoxyethanamine.
What is the SMILES notation for 1-cyclohexyl-2,2-dimethoxyethanamine?
The canonical SMILES for 1-cyclohexyl-2,2-dimethoxyethanamine is COC(OC)C(N)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2,2-dimethoxyethanamine?
The InChIKey is MJLMHEIMLDVTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-12-10(13-2)9(11)8-6-4-3-5-7-8/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 1-cyclohexyl-2,2-dimethoxyethanamine?
1-cyclohexyl-2,2-dimethoxyethanamine has a molecular weight of 187.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,2-dimethoxyethanamine is sourced from PubChem (CID 68520972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).