N,N'-dicyclohexylmorpholin-4-ium-4-carboximidamide

C17H32N3O+ — CID 59981783

IUPACN,N'-dicyclohexylmorpholin-4-ium-4-carboximidamide
SMILESC1CCC(/N=C(/NC2CCCCC2)[NH+]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
LogP1.51
Rot. Bonds2

About N,N'-dicyclohexylmorpholin-4-ium-4-carboximidamide

N,N'-dicyclohexylmorpholin-4-ium-4-carboximidamide (PubChem CID 59981783) has the molecular formula C17H32N3O+ and a molecular weight of 294.46 g/mol. Its IUPAC name is N,N'-dicyclohexylmorpholin-4-ium-4-carboximidamide.

Molecular Properties

Compound NameN,N'-dicyclohexylmorpholin-4-ium-4-carboximidamide
PubChem CID59981783
Molecular FormulaC17H32N3O+
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC NameN,N'-dicyclohexylmorpholin-4-ium-4-carboximidamide
SMILESC1CCC(/N=C(/NC2CCCCC2)[NH+]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
XLogP1.51
TPSA38.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-dicyclohexylmorpholin-4-ium-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dicyclohexyl-1,1-bis(trimethylsilyl)guanidine
CID 15398506
N,N'-dicyclohexylaziridine-1-carboximidamide
CID 566641
1-amino-3-cyclobutyl-2-cyclohexylguanidine
CID 104882648
propan-2-yl N,N'-dicyclohexylcarbamimidate
CID 10945389
N,N'-dicyclohexylcyclopenta-2,4-diene-1-carboximidamide
CID 15804073
1-cyclopropyl-2-(oxan-4-yl)guanidine
CID 62361761
aziridin-2-yl N,N'-dicyclohexylcarbamimidate
CID 170575324
1,2-dicyclohexyl-3-pyridin-1-ium-1-ylguanidine iodide
CID 154879292
N-cyclododecyloxan-4-amine
CID 43609748
1,3-dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
1-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium
CID 159536560
1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine
CID 134121747

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexylmorpholin-4-ium-4-carboximidamide?
The IUPAC name of N,N'-dicyclohexylmorpholin-4-ium-4-carboximidamide (CID 59981783) is N,N'-dicyclohexylmorpholin-4-ium-4-carboximidamide.
What is the SMILES notation for N,N'-dicyclohexylmorpholin-4-ium-4-carboximidamide?
The canonical SMILES for N,N'-dicyclohexylmorpholin-4-ium-4-carboximidamide is C1CCC(/N=C(/NC2CCCCC2)[NH+]2CCOCC2)CC1.
What is the InChIKey of N,N'-dicyclohexylmorpholin-4-ium-4-carboximidamide?
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'-dicyclohexylmorpholin-4-ium-4-carboximidamide?
N,N'-dicyclohexylmorpholin-4-ium-4-carboximidamide has a molecular weight of 294.46 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexylmorpholin-4-ium-4-carboximidamide is sourced from PubChem (CID 59981783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).