N'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide

C15H23N5 — CID 71515196

IUPACN'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide
SMILESNC(N)=N/C(=N/Cc1ccccc1)N1CCCCCC1
InChIInChI=1S/C15H23N5/c16-14(17)19-15(20-10-6-1-2-7-11-20)18-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H4,16,17,18,19)
InChIKeyOUSPVXXFDFLVHG-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.69
Rot. Bonds2

About N'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide

N'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide (PubChem CID 71515196) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide.

Molecular Properties

Compound NameN'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide
PubChem CID71515196
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide
SMILESNC(N)=N/C(=N/Cc1ccccc1)N1CCCCCC1
InChIInChI=1S/C15H23N5/c16-14(17)19-15(20-10-6-1-2-7-11-20)18-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H4,16,17,18,19)
InChIKeyOUSPVXXFDFLVHG-UHFFFAOYSA-N
XLogP1.69
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine
CID 102375712
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110893080
N'-benzyl-N-(2-chlorophenyl)pyrrolidine-1-carboximidamide
CID 101489117
N'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513423
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
2-benzylguanidine;bis(tricyclohexylphosphane)
CID 158132606
N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]azepane-1-carboximidamide;dihydrochloride
CID 142720634
2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride
CID 53308012
N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111023397
(NZ)-N-[amino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide
CID 23459662
N'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide
CID 131096339

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide?
The IUPAC name of N'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide (CID 71515196) is N'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide.
What is the SMILES notation for N'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide?
The canonical SMILES for N'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide is NC(N)=N/C(=N/Cc1ccccc1)N1CCCCCC1.
What is the InChIKey of N'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide?
The InChIKey is OUSPVXXFDFLVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c16-14(17)19-15(20-10-6-1-2-7-11-20)18-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H4,16,17,18,19).
What are the key properties of N'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide?
N'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide has a molecular weight of 273.38 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide is sourced from PubChem (CID 71515196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).