N-(2-methoxyethyl)cyclohexanamine

C9H19NO — CID 12687399

IUPACN-(2-methoxyethyl)cyclohexanamine
SMILESCOCCNC1CCCCC1
InChIInChI=1S/C9H19NO/c1-11-8-7-10-9-5-3-2-4-6-9/h9-10H,2-8H2,1H3
InChIKeyWLNWJJLFZFNSAW-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.56
Rot. Bonds4

About N-(2-methoxyethyl)cyclohexanamine

N-(2-methoxyethyl)cyclohexanamine (PubChem CID 12687399) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)cyclohexanamine
PubChem CID12687399
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(2-methoxyethyl)cyclohexanamine
SMILESCOCCNC1CCCCC1
InChIInChI=1S/C9H19NO/c1-11-8-7-10-9-5-3-2-4-6-9/h9-10H,2-8H2,1H3
InChIKeyWLNWJJLFZFNSAW-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(2-methoxyethyl)cyclohexanamine?
The IUPAC name of N-(2-methoxyethyl)cyclohexanamine (CID 12687399) is N-(2-methoxyethyl)cyclohexanamine.
What is the SMILES notation for N-(2-methoxyethyl)cyclohexanamine?
The canonical SMILES for N-(2-methoxyethyl)cyclohexanamine is COCCNC1CCCCC1.
What is the InChIKey of N-(2-methoxyethyl)cyclohexanamine?
The InChIKey is WLNWJJLFZFNSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-11-8-7-10-9-5-3-2-4-6-9/h9-10H,2-8H2,1H3.
What are the key properties of N-(2-methoxyethyl)cyclohexanamine?
N-(2-methoxyethyl)cyclohexanamine has a molecular weight of 157.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)cyclohexanamine is sourced from PubChem (CID 12687399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).