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

C14H28N2O — CID 2846678

IUPAC4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine
SMILESCC1CCC(NCCCN2CCOCC2)CC1
InChIInChI=1S/C14H28N2O/c1-13-3-5-14(6-4-13)15-7-2-8-16-9-11-17-12-10-16/h13-15H,2-12H2,1H3
InChIKeyWSFIDUALVRQTDQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds5

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

4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine (PubChem CID 2846678) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine
PubChem CID2846678
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine
SMILESCC1CCC(NCCCN2CCOCC2)CC1
InChIInChI=1S/C14H28N2O/c1-13-3-5-14(6-4-13)15-7-2-8-16-9-11-17-12-10-16/h13-15H,2-12H2,1H3
InChIKeyWSFIDUALVRQTDQ-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
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-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine (CID 2846678) is 4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine is CC1CCC(NCCCN2CCOCC2)CC1.
What is the InChIKey of 4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
The InChIKey is WSFIDUALVRQTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13-3-5-14(6-4-13)15-7-2-8-16-9-11-17-12-10-16/h13-15H,2-12H2,1H3.
What are the key properties of 4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 2846678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).