4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine

C16H33NO — CID 113436996

IUPAC4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1CCCCOC
InChIInChI=1S/C16H33NO/c1-4-11-17-16-10-9-14(5-2)13-15(16)8-6-7-12-18-3/h14-17H,4-13H2,1-3H3
InChIKeyADBSLWZXLFHEFQ-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds9

About 4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine

4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine (PubChem CID 113436996) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine
PubChem CID113436996
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1CCCCOC
InChIInChI=1S/C16H33NO/c1-4-11-17-16-10-9-14(5-2)13-15(16)8-6-7-12-18-3/h14-17H,4-13H2,1-3H3
InChIKeyADBSLWZXLFHEFQ-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
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 4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine (CID 113436996) is 4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine is CCCNC1CCC(CC)CC1CCCCOC.
What is the InChIKey of 4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine?
The InChIKey is ADBSLWZXLFHEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-11-17-16-10-9-14(5-2)13-15(16)8-6-7-12-18-3/h14-17H,4-13H2,1-3H3.
What are the key properties of 4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine?
4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 113436996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).