aziridin-2-yl N,N'-dicyclohexylcarbamimidate

C15H27N3O — CID 170575324

IUPACaziridin-2-yl N,N'-dicyclohexylcarbamimidate
SMILESC1CCC(/N=C(/NC2CCCCC2)OC2CN2)CC1
InChIInChI=1S/C15H27N3O/c1-3-7-12(8-4-1)17-15(19-14-11-16-14)18-13-9-5-2-6-10-13/h12-14,16H,1-11H2,(H,17,18)
InChIKeyUMNUXJAHAYEIFC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.54
Rot. Bonds3

About aziridin-2-yl N,N'-dicyclohexylcarbamimidate

aziridin-2-yl N,N'-dicyclohexylcarbamimidate (PubChem CID 170575324) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is aziridin-2-yl N,N'-dicyclohexylcarbamimidate.

Molecular Properties

Compound Nameaziridin-2-yl N,N'-dicyclohexylcarbamimidate
PubChem CID170575324
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Nameaziridin-2-yl N,N'-dicyclohexylcarbamimidate
SMILESC1CCC(/N=C(/NC2CCCCC2)OC2CN2)CC1
InChIInChI=1S/C15H27N3O/c1-3-7-12(8-4-1)17-15(19-14-11-16-14)18-13-9-5-2-6-10-13/h12-14,16H,1-11H2,(H,17,18)
InChIKeyUMNUXJAHAYEIFC-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N,N'-dicyclohexylcarbamimidate
CID 10945389
4-hydroxybutyl N,N'-dicyclohexylcarbamimidate
CID 10935348
(N,N'-dicyclohexylcarbamimidoyl)peroxycarbamothioic S-acid
CID 87475251
benzhydryl N,N'-dicyclohexylcarbamimidate
CID 142630234
(benzylideneamino) N,N'-dicyclohexylcarbamimidate
CID 91602803
2-phenylethyl N,N'-dicyclohexylcarbamimidate
CID 11727199
1-amino-3-cyclobutyl-2-cyclohexylguanidine
CID 104882648
N,N'-dicyclohexylaziridine-1-carboximidamide
CID 566641
(2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate
CID 141252605
N,N'-dicyclohexylcyclopenta-2,4-diene-1-carboximidamide
CID 15804073
(N,N'-dicyclohexylcarbamimidoyl) (E)-octadec-9-enoate
CID 10929055
2,3-dicyclohexyl-1,1-bis(trimethylsilyl)guanidine
CID 15398506

Frequently Asked Questions

What is the IUPAC name of aziridin-2-yl N,N'-dicyclohexylcarbamimidate?
The IUPAC name of aziridin-2-yl N,N'-dicyclohexylcarbamimidate (CID 170575324) is aziridin-2-yl N,N'-dicyclohexylcarbamimidate.
What is the SMILES notation for aziridin-2-yl N,N'-dicyclohexylcarbamimidate?
The canonical SMILES for aziridin-2-yl N,N'-dicyclohexylcarbamimidate is C1CCC(/N=C(/NC2CCCCC2)OC2CN2)CC1.
What is the InChIKey of aziridin-2-yl N,N'-dicyclohexylcarbamimidate?
The InChIKey is UMNUXJAHAYEIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-7-12(8-4-1)17-15(19-14-11-16-14)18-13-9-5-2-6-10-13/h12-14,16H,1-11H2,(H,17,18).
What are the key properties of aziridin-2-yl N,N'-dicyclohexylcarbamimidate?
aziridin-2-yl N,N'-dicyclohexylcarbamimidate has a molecular weight of 265.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-2-yl N,N'-dicyclohexylcarbamimidate is sourced from PubChem (CID 170575324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).