4-ethenoxy-N-methylcyclohexan-1-amine

C9H17NO — CID 126626500

IUPAC4-ethenoxy-N-methylcyclohexan-1-amine
SMILESC=COC1CCC(NC)CC1
InChIInChI=1S/C9H17NO/c1-3-11-9-6-4-8(10-2)5-7-9/h3,8-10H,1,4-7H2,2H3
InChIKeyPXVRSYVSCRXWFE-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.68
Rot. Bonds3

About 4-ethenoxy-N-methylcyclohexan-1-amine

4-ethenoxy-N-methylcyclohexan-1-amine (PubChem CID 126626500) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-ethenoxy-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethenoxy-N-methylcyclohexan-1-amine
PubChem CID126626500
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-ethenoxy-N-methylcyclohexan-1-amine
SMILESC=COC1CCC(NC)CC1
InChIInChI=1S/C9H17NO/c1-3-11-9-6-4-8(10-2)5-7-9/h3,8-10H,1,4-7H2,2H3
InChIKeyPXVRSYVSCRXWFE-UHFFFAOYSA-N
XLogP1.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenoxy-N-methylcyclohexan-1-amine?
The IUPAC name of 4-ethenoxy-N-methylcyclohexan-1-amine (CID 126626500) is 4-ethenoxy-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-ethenoxy-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-ethenoxy-N-methylcyclohexan-1-amine is C=COC1CCC(NC)CC1.
What is the InChIKey of 4-ethenoxy-N-methylcyclohexan-1-amine?
The InChIKey is PXVRSYVSCRXWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-11-9-6-4-8(10-2)5-7-9/h3,8-10H,1,4-7H2,2H3.
What are the key properties of 4-ethenoxy-N-methylcyclohexan-1-amine?
4-ethenoxy-N-methylcyclohexan-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-N-methylcyclohexan-1-amine is sourced from PubChem (CID 126626500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).