N-cyclohexyl-N'-(3-methylbutyl)morpholine-4-carboximidamide

C16H31N3O — CID 10468954

IUPACN-cyclohexyl-N'-(3-methylbutyl)morpholine-4-carboximidamide
SMILESCC(C)CC/N=C(/NC1CCCCC1)N1CCOCC1
InChIInChI=1S/C16H31N3O/c1-14(2)8-9-17-16(19-10-12-20-13-11-19)18-15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3,(H,17,18)
InChIKeyDMRRVDXQWVZVBH-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.64
Rot. Bonds4

About N-cyclohexyl-N'-(3-methylbutyl)morpholine-4-carboximidamide

N-cyclohexyl-N'-(3-methylbutyl)morpholine-4-carboximidamide (PubChem CID 10468954) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-cyclohexyl-N'-(3-methylbutyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-(3-methylbutyl)morpholine-4-carboximidamide
PubChem CID10468954
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-cyclohexyl-N'-(3-methylbutyl)morpholine-4-carboximidamide
SMILESCC(C)CC/N=C(/NC1CCCCC1)N1CCOCC1
InChIInChI=1S/C16H31N3O/c1-14(2)8-9-17-16(19-10-12-20-13-11-19)18-15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3,(H,17,18)
InChIKeyDMRRVDXQWVZVBH-UHFFFAOYSA-N
XLogP2.64
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.64
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'-(3-methylbutyl)morpholine-4-carboximidamide?
The IUPAC name of N-cyclohexyl-N'-(3-methylbutyl)morpholine-4-carboximidamide (CID 10468954) is N-cyclohexyl-N'-(3-methylbutyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-cyclohexyl-N'-(3-methylbutyl)morpholine-4-carboximidamide?
The canonical SMILES for N-cyclohexyl-N'-(3-methylbutyl)morpholine-4-carboximidamide is CC(C)CC/N=C(/NC1CCCCC1)N1CCOCC1.
What is the InChIKey of N-cyclohexyl-N'-(3-methylbutyl)morpholine-4-carboximidamide?
The InChIKey is DMRRVDXQWVZVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-14(2)8-9-17-16(19-10-12-20-13-11-19)18-15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3,(H,17,18).
What are the key properties of N-cyclohexyl-N'-(3-methylbutyl)morpholine-4-carboximidamide?
N-cyclohexyl-N'-(3-methylbutyl)morpholine-4-carboximidamide has a molecular weight of 281.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-(3-methylbutyl)morpholine-4-carboximidamide is sourced from PubChem (CID 10468954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).