1-cyclohexyl-N-ethoxymethanamine

C9H19NO — CID 54173625

IUPAC1-cyclohexyl-N-ethoxymethanamine
SMILESCCONCC1CCCCC1
InChIInChI=1S/C9H19NO/c1-2-11-10-8-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3
InChIKeyOWSKYYMCKRWOEA-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.11
Rot. Bonds4

About 1-cyclohexyl-N-ethoxymethanamine

1-cyclohexyl-N-ethoxymethanamine (PubChem CID 54173625) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethoxymethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethoxymethanamine
PubChem CID54173625
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-cyclohexyl-N-ethoxymethanamine
SMILESCCONCC1CCCCC1
InChIInChI=1S/C9H19NO/c1-2-11-10-8-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3
InChIKeyOWSKYYMCKRWOEA-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethoxymethanamine?
The IUPAC name of 1-cyclohexyl-N-ethoxymethanamine (CID 54173625) is 1-cyclohexyl-N-ethoxymethanamine.
What is the SMILES notation for 1-cyclohexyl-N-ethoxymethanamine?
The canonical SMILES for 1-cyclohexyl-N-ethoxymethanamine is CCONCC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethoxymethanamine?
The InChIKey is OWSKYYMCKRWOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-11-10-8-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3.
What are the key properties of 1-cyclohexyl-N-ethoxymethanamine?
1-cyclohexyl-N-ethoxymethanamine has a molecular weight of 157.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethoxymethanamine is sourced from PubChem (CID 54173625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).