4-ethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine

C15H30N2O — CID 2058130

IUPAC4-ethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine
SMILESCCC1CCC(NCCCN2CCOCC2)CC1
InChIInChI=1S/C15H30N2O/c1-2-14-4-6-15(7-5-14)16-8-3-9-17-10-12-18-13-11-17/h14-16H,2-13H2,1H3
InChIKeyUBKVJULPRLDREV-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds6

About 4-ethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine

4-ethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine (PubChem CID 2058130) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-ethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine
PubChem CID2058130
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-ethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine
SMILESCCC1CCC(NCCCN2CCOCC2)CC1
InChIInChI=1S/C15H30N2O/c1-2-14-4-6-15(7-5-14)16-8-3-9-17-10-12-18-13-11-17/h14-16H,2-13H2,1H3
InChIKeyUBKVJULPRLDREV-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine (CID 2058130) is 4-ethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine is CCC1CCC(NCCCN2CCOCC2)CC1.
What is the InChIKey of 4-ethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
The InChIKey is UBKVJULPRLDREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-2-14-4-6-15(7-5-14)16-8-3-9-17-10-12-18-13-11-17/h14-16H,2-13H2,1H3.
What are the key properties of 4-ethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
4-ethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 2058130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).