N-(3-morpholin-4-ylpropyl)cyclohexanamine

C13H26N2O — CID 28672835

IUPACN-(3-morpholin-4-ylpropyl)cyclohexanamine
SMILESC1CCC(NCCCN2CCOCC2)CC1
InChIInChI=1S/C13H26N2O/c1-2-5-13(6-3-1)14-7-4-8-15-9-11-16-12-10-15/h13-14H,1-12H2
InChIKeyACRBCUUGDPGLEQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)cyclohexanamine

N-(3-morpholin-4-ylpropyl)cyclohexanamine (PubChem CID 28672835) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)cyclohexanamine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)cyclohexanamine
PubChem CID28672835
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(3-morpholin-4-ylpropyl)cyclohexanamine
SMILESC1CCC(NCCCN2CCOCC2)CC1
InChIInChI=1S/C13H26N2O/c1-2-5-13(6-3-1)14-7-4-8-15-9-11-16-12-10-15/h13-14H,1-12H2
InChIKeyACRBCUUGDPGLEQ-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
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 N-(3-morpholin-4-ylpropyl)cyclohexanamine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)cyclohexanamine (CID 28672835) is N-(3-morpholin-4-ylpropyl)cyclohexanamine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)cyclohexanamine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)cyclohexanamine is C1CCC(NCCCN2CCOCC2)CC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)cyclohexanamine?
The InChIKey is ACRBCUUGDPGLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-5-13(6-3-1)14-7-4-8-15-9-11-16-12-10-15/h13-14H,1-12H2.
What are the key properties of N-(3-morpholin-4-ylpropyl)cyclohexanamine?
N-(3-morpholin-4-ylpropyl)cyclohexanamine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)cyclohexanamine is sourced from PubChem (CID 28672835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).