9-benzyl-N-cyclopropyl-N'-methyl-2,9-diazaspiro[4.5]decane-2-carboximidamide

C20H30N4 — CID 119143302

IUPAC9-benzyl-N-cyclopropyl-N'-methyl-2,9-diazaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NC1CC1)N1CCC2(CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C20H30N4/c1-21-19(22-18-8-9-18)24-13-11-20(16-24)10-5-12-23(15-20)14-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-16H2,1H3,(H,21,22)
InChIKeyRUUMAWFNQOHFRO-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.71
Rot. Bonds3

About 9-benzyl-N-cyclopropyl-N'-methyl-2,9-diazaspiro[4.5]decane-2-carboximidamide

9-benzyl-N-cyclopropyl-N'-methyl-2,9-diazaspiro[4.5]decane-2-carboximidamide (PubChem CID 119143302) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 9-benzyl-N-cyclopropyl-N'-methyl-2,9-diazaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound Name9-benzyl-N-cyclopropyl-N'-methyl-2,9-diazaspiro[4.5]decane-2-carboximidamide
PubChem CID119143302
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name9-benzyl-N-cyclopropyl-N'-methyl-2,9-diazaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NC1CC1)N1CCC2(CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C20H30N4/c1-21-19(22-18-8-9-18)24-13-11-20(16-24)10-5-12-23(15-20)14-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-16H2,1H3,(H,21,22)
InChIKeyRUUMAWFNQOHFRO-UHFFFAOYSA-N
XLogP2.71
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-N-cyclopropyl-N'-methyl-2,9-diazaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of 9-benzyl-N-cyclopropyl-N'-methyl-2,9-diazaspiro[4.5]decane-2-carboximidamide (CID 119143302) is 9-benzyl-N-cyclopropyl-N'-methyl-2,9-diazaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for 9-benzyl-N-cyclopropyl-N'-methyl-2,9-diazaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for 9-benzyl-N-cyclopropyl-N'-methyl-2,9-diazaspiro[4.5]decane-2-carboximidamide is C/N=C(\NC1CC1)N1CCC2(CCCN(Cc3ccccc3)C2)C1.
What is the InChIKey of 9-benzyl-N-cyclopropyl-N'-methyl-2,9-diazaspiro[4.5]decane-2-carboximidamide?
The InChIKey is RUUMAWFNQOHFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-21-19(22-18-8-9-18)24-13-11-20(16-24)10-5-12-23(15-20)14-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-16H2,1H3,(H,21,22).
What are the key properties of 9-benzyl-N-cyclopropyl-N'-methyl-2,9-diazaspiro[4.5]decane-2-carboximidamide?
9-benzyl-N-cyclopropyl-N'-methyl-2,9-diazaspiro[4.5]decane-2-carboximidamide has a molecular weight of 326.49 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-N-cyclopropyl-N'-methyl-2,9-diazaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 119143302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).