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

C14H28N2O — CID 4712351

IUPAC2-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine
SMILESCC1CCCCC1NCCCN1CCOCC1
InChIInChI=1S/C14H28N2O/c1-13-5-2-3-6-14(13)15-7-4-8-16-9-11-17-12-10-16/h13-15H,2-12H2,1H3
InChIKeyWKLQNAMNCFGFHZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds5

About 2-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine

2-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine (PubChem CID 4712351) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine
PubChem CID4712351
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine
SMILESCC1CCCCC1NCCCN1CCOCC1
InChIInChI=1S/C14H28N2O/c1-13-5-2-3-6-14(13)15-7-4-8-16-9-11-17-12-10-16/h13-15H,2-12H2,1H3
InChIKeyWKLQNAMNCFGFHZ-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 2-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine (CID 4712351) is 2-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine is CC1CCCCC1NCCCN1CCOCC1.
What is the InChIKey of 2-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
The InChIKey is WKLQNAMNCFGFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13-5-2-3-6-14(13)15-7-4-8-16-9-11-17-12-10-16/h13-15H,2-12H2,1H3.
What are the key properties of 2-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
2-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 2-methyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 4712351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).