N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide

C17H33N3O — CID 121357198

IUPACN'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide
SMILESCCCC(CC)N/C(=N\C1CCCCC1)N1CCOCC1
InChIInChI=1S/C17H33N3O/c1-3-8-15(4-2)18-17(20-11-13-21-14-12-20)19-16-9-6-5-7-10-16/h15-16H,3-14H2,1-2H3,(H,18,19)
InChIKeyZVDZQJSKGRPSJW-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.18
Rot. Bonds5

About N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide

N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide (PubChem CID 121357198) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide
PubChem CID121357198
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide
SMILESCCCC(CC)N/C(=N\C1CCCCC1)N1CCOCC1
InChIInChI=1S/C17H33N3O/c1-3-8-15(4-2)18-17(20-11-13-21-14-12-20)19-16-9-6-5-7-10-16/h15-16H,3-14H2,1-2H3,(H,18,19)
InChIKeyZVDZQJSKGRPSJW-UHFFFAOYSA-N
XLogP3.18
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide?
The IUPAC name of N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide (CID 121357198) is N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide?
The canonical SMILES for N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide is CCCC(CC)N/C(=N\C1CCCCC1)N1CCOCC1.
What is the InChIKey of N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide?
The InChIKey is ZVDZQJSKGRPSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-3-8-15(4-2)18-17(20-11-13-21-14-12-20)19-16-9-6-5-7-10-16/h15-16H,3-14H2,1-2H3,(H,18,19).
What are the key properties of N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide?
N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide has a molecular weight of 295.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide is sourced from PubChem (CID 121357198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).