N,N'-dicyclohexylaziridine-1-carboximidamide

C15H27N3 — CID 566641

IUPACN,N'-dicyclohexylaziridine-1-carboximidamide
SMILESC1CCC(/N=C(/NC2CCCCC2)N2CC2)CC1
InChIInChI=1S/C15H27N3/c1-3-7-13(8-4-1)16-15(18-11-12-18)17-14-9-5-2-6-10-14/h13-14H,1-12H2,(H,16,17)
InChIKeyAMFSNEQDJGTHMC-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.91
Rot. Bonds2

About N,N'-dicyclohexylaziridine-1-carboximidamide

N,N'-dicyclohexylaziridine-1-carboximidamide (PubChem CID 566641) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N,N'-dicyclohexylaziridine-1-carboximidamide.

Molecular Properties

Compound NameN,N'-dicyclohexylaziridine-1-carboximidamide
PubChem CID566641
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN,N'-dicyclohexylaziridine-1-carboximidamide
SMILESC1CCC(/N=C(/NC2CCCCC2)N2CC2)CC1
InChIInChI=1S/C15H27N3/c1-3-7-13(8-4-1)16-15(18-11-12-18)17-14-9-5-2-6-10-14/h13-14H,1-12H2,(H,16,17)
InChIKeyAMFSNEQDJGTHMC-UHFFFAOYSA-N
XLogP2.91
TPSA27.40 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

n,n'-Dicyclohexylguanidine
CID 407725
1,3-Dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
N,N''-Dicyclohexyl-N''''-cyclopropyl-guanidine
CID 44318068
1-Butyl-2,3-dicyclohexyl-1-methylguanidine
CID 58238472
1-Cyano-2,3-dicyclohexylguanidine
CID 2825084
2,3-Dicyclohexyl-1,1-dimethylguanidine
CID 14423437
N,N''-Dicyclohexyl-N''''-methyl-guanidine; hydrochloride
CID 14771734
[Amino-(cyclohexylamino)methylidene]-cyclohexylazanium
CID 36689485
2-(Cyclohexylamino)-1,4,5,6-tetrahydropyrimidin-1-ium chloride
CID 169502334
1,2-Dicyclohexylguanidine;hydrochloride
CID 24181422
1,3-Dicyclohexyl-2-propylguanidine
CID 13832516
1-Butyl-2,3-dicyclohexylguanidine
CID 13832517

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexylaziridine-1-carboximidamide?
The IUPAC name of N,N'-dicyclohexylaziridine-1-carboximidamide (CID 566641) is N,N'-dicyclohexylaziridine-1-carboximidamide.
What is the SMILES notation for N,N'-dicyclohexylaziridine-1-carboximidamide?
The canonical SMILES for N,N'-dicyclohexylaziridine-1-carboximidamide is C1CCC(/N=C(/NC2CCCCC2)N2CC2)CC1.
What is the InChIKey of N,N'-dicyclohexylaziridine-1-carboximidamide?
The InChIKey is AMFSNEQDJGTHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-7-13(8-4-1)16-15(18-11-12-18)17-14-9-5-2-6-10-14/h13-14H,1-12H2,(H,16,17).
What are the key properties of N,N'-dicyclohexylaziridine-1-carboximidamide?
N,N'-dicyclohexylaziridine-1-carboximidamide has a molecular weight of 249.40 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexylaziridine-1-carboximidamide is sourced from PubChem (CID 566641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).