N'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide

C16H23N3 — CID 131096339

IUPACN'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide
SMILESN/C(=N\Cc1ccccc1)N1CCCC12CCCC2
InChIInChI=1S/C16H23N3/c17-15(18-13-14-7-2-1-3-8-14)19-12-6-11-16(19)9-4-5-10-16/h1-3,7-8H,4-6,9-13H2,(H2,17,18)
InChIKeyRTRJIYVVARQUMP-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.91
Rot. Bonds2

About N'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide

N'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide (PubChem CID 131096339) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide.

Molecular Properties

Compound NameN'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide
PubChem CID131096339
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide
SMILESN/C(=N\Cc1ccccc1)N1CCCC12CCCC2
InChIInChI=1S/C16H23N3/c17-15(18-13-14-7-2-1-3-8-14)19-12-6-11-16(19)9-4-5-10-16/h1-3,7-8H,4-6,9-13H2,(H2,17,18)
InChIKeyRTRJIYVVARQUMP-UHFFFAOYSA-N
XLogP2.91
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
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'}

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Related Compounds

N'-benzyl-4-hydroxy-4-methylpiperidine-1-carboximidamide
CID 130557138
2-benzyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
CID 130557052
(2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 159272717
N'-benzyl-4-methoxypiperidine-1-carboximidamide
CID 130165898
N'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide
CID 71515196
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
N'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide
CID 130557165
N'-benzyl-2-hydroxyethanimidamide
CID 90668671
N-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine
CID 102375712
N'-[[4-(phenylmethoxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111053620
1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine
CID 139541808
2-amino-2-benzylpiperidine-1-carboxylic acid
CID 151407806

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide?
The IUPAC name of N'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide (CID 131096339) is N'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide.
What is the SMILES notation for N'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide?
The canonical SMILES for N'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide is N/C(=N\Cc1ccccc1)N1CCCC12CCCC2.
What is the InChIKey of N'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide?
The InChIKey is RTRJIYVVARQUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c17-15(18-13-14-7-2-1-3-8-14)19-12-6-11-16(19)9-4-5-10-16/h1-3,7-8H,4-6,9-13H2,(H2,17,18).
What are the key properties of N'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide?
N'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide has a molecular weight of 257.38 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'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide is sourced from PubChem (CID 131096339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).