N,N'-dicyclohexyl-1-morpholin-4-ylmethanediamine

C17H33N3O — CID 146653367

IUPACN,N'-dicyclohexyl-1-morpholin-4-ylmethanediamine
SMILESC1CCC(NC(NC2CCCCC2)N2CCOCC2)CC1
InChIInChI=1S/C17H33N3O/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16/h15-19H,1-14H2
InChIKeyMTSDAUIAYKCOKK-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.45
Rot. Bonds5

About N,N'-dicyclohexyl-1-morpholin-4-ylmethanediamine

N,N'-dicyclohexyl-1-morpholin-4-ylmethanediamine (PubChem CID 146653367) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N,N'-dicyclohexyl-1-morpholin-4-ylmethanediamine.

Molecular Properties

Compound NameN,N'-dicyclohexyl-1-morpholin-4-ylmethanediamine
PubChem CID146653367
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN,N'-dicyclohexyl-1-morpholin-4-ylmethanediamine
SMILESC1CCC(NC(NC2CCCCC2)N2CCOCC2)CC1
InChIInChI=1S/C17H33N3O/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16/h15-19H,1-14H2
InChIKeyMTSDAUIAYKCOKK-UHFFFAOYSA-N
XLogP2.45
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexyl-1-morpholin-4-ylmethanediamine?
The IUPAC name of N,N'-dicyclohexyl-1-morpholin-4-ylmethanediamine (CID 146653367) is N,N'-dicyclohexyl-1-morpholin-4-ylmethanediamine.
What is the SMILES notation for N,N'-dicyclohexyl-1-morpholin-4-ylmethanediamine?
The canonical SMILES for N,N'-dicyclohexyl-1-morpholin-4-ylmethanediamine is C1CCC(NC(NC2CCCCC2)N2CCOCC2)CC1.
What is the InChIKey of N,N'-dicyclohexyl-1-morpholin-4-ylmethanediamine?
The InChIKey is MTSDAUIAYKCOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16/h15-19H,1-14H2.
What are the key properties of N,N'-dicyclohexyl-1-morpholin-4-ylmethanediamine?
N,N'-dicyclohexyl-1-morpholin-4-ylmethanediamine has a molecular weight of 295.47 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexyl-1-morpholin-4-ylmethanediamine is sourced from PubChem (CID 146653367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).