N,N'-dicyclohexyl-1-morpholin-4-ium-4-ylidenemethanediamine

C17H32N3O+ — CID 6339130

IUPACN,N'-dicyclohexyl-1-morpholin-4-ium-4-ylidenemethanediamine
SMILESC1CCC(NC(NC2CCCCC2)=[N+]2CCOCC2)CC1
InChIInChI=1S/C17H31N3O/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16/h15-16H,1-14H2,(H,18,19)/p+1
InChIKeyOZNYZQOTXQSUJM-UHFFFAOYSA-O
MW294.46 g/mol
LogP2.23
Rot. Bonds2

About N,N'-dicyclohexyl-1-morpholin-4-ium-4-ylidenemethanediamine

N,N'-dicyclohexyl-1-morpholin-4-ium-4-ylidenemethanediamine (PubChem CID 6339130) has the molecular formula C17H32N3O+ and a molecular weight of 294.46 g/mol. Its IUPAC name is N,N'-dicyclohexyl-1-morpholin-4-ium-4-ylidenemethanediamine.

Molecular Properties

Compound NameN,N'-dicyclohexyl-1-morpholin-4-ium-4-ylidenemethanediamine
PubChem CID6339130
Molecular FormulaC17H32N3O+
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC NameN,N'-dicyclohexyl-1-morpholin-4-ium-4-ylidenemethanediamine
SMILESC1CCC(NC(NC2CCCCC2)=[N+]2CCOCC2)CC1
InChIInChI=1S/C17H31N3O/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16/h15-16H,1-14H2,(H,18,19)/p+1
InChIKeyOZNYZQOTXQSUJM-UHFFFAOYSA-O
XLogP2.23
TPSA36.30 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexyl-1-morpholin-4-ium-4-ylidenemethanediamine?
The IUPAC name of N,N'-dicyclohexyl-1-morpholin-4-ium-4-ylidenemethanediamine (CID 6339130) is N,N'-dicyclohexyl-1-morpholin-4-ium-4-ylidenemethanediamine.
What is the SMILES notation for N,N'-dicyclohexyl-1-morpholin-4-ium-4-ylidenemethanediamine?
The canonical SMILES for N,N'-dicyclohexyl-1-morpholin-4-ium-4-ylidenemethanediamine is C1CCC(NC(NC2CCCCC2)=[N+]2CCOCC2)CC1.
What is the InChIKey of N,N'-dicyclohexyl-1-morpholin-4-ium-4-ylidenemethanediamine?
The InChIKey is OZNYZQOTXQSUJM-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H31N3O/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16/h15-16H,1-14H2,(H,18,19)/p+1.
What are the key properties of N,N'-dicyclohexyl-1-morpholin-4-ium-4-ylidenemethanediamine?
N,N'-dicyclohexyl-1-morpholin-4-ium-4-ylidenemethanediamine has a molecular weight of 294.46 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexyl-1-morpholin-4-ium-4-ylidenemethanediamine is sourced from PubChem (CID 6339130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).