1-benzyl-1,7-diazaspiro[3.4]octane

C13H18N2 — CID 71302050

IUPAC1-benzyl-1,7-diazaspiro[3.4]octane
SMILESc1ccc(CN2CCC23CCNC3)cc1
InChIInChI=1S/C13H18N2/c1-2-4-12(5-3-1)10-15-9-7-13(15)6-8-14-11-13/h1-5,14H,6-11H2
InChIKeyHVFOGWYVURWQFX-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.62
Rot. Bonds2

About 1-benzyl-1,7-diazaspiro[3.4]octane

1-benzyl-1,7-diazaspiro[3.4]octane (PubChem CID 71302050) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-benzyl-1,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name1-benzyl-1,7-diazaspiro[3.4]octane
PubChem CID71302050
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-benzyl-1,7-diazaspiro[3.4]octane
SMILESc1ccc(CN2CCC23CCNC3)cc1
InChIInChI=1S/C13H18N2/c1-2-4-12(5-3-1)10-15-9-7-13(15)6-8-14-11-13/h1-5,14H,6-11H2
InChIKeyHVFOGWYVURWQFX-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzylpiperazine
CID 75994
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N-(1,1-Dimethylethyl)benzenemethanamine
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2-Phenylpyrrolidine
CID 261892
1,2-Ethanediamine, N1,N1-dimethyl-N2-(phenylmethyl)-
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(1-Benzylpyrrolidin-3-yl)methanamine
CID 3157467
(2-Aminoethyl)(benzyl)methylamine
CID 3014812
N-Benzyl-N,N'-dimethylethylenediamine
CID 66016
1-benzyl-N-methylpyrrolidin-3-amine
CID 13787478
N,N'-Dibenzyl-3-aminopyrrolidine
CID 14098325
N-Methyl-4-(pyrrolidin-1-ylmethyl)benzylamine
CID 18525869
(2-Amino-1-phenylethyl)dimethylamine
CID 241652

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1,7-diazaspiro[3.4]octane?
The IUPAC name of 1-benzyl-1,7-diazaspiro[3.4]octane (CID 71302050) is 1-benzyl-1,7-diazaspiro[3.4]octane.
What is the SMILES notation for 1-benzyl-1,7-diazaspiro[3.4]octane?
The canonical SMILES for 1-benzyl-1,7-diazaspiro[3.4]octane is c1ccc(CN2CCC23CCNC3)cc1.
What is the InChIKey of 1-benzyl-1,7-diazaspiro[3.4]octane?
The InChIKey is HVFOGWYVURWQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-4-12(5-3-1)10-15-9-7-13(15)6-8-14-11-13/h1-5,14H,6-11H2.
What are the key properties of 1-benzyl-1,7-diazaspiro[3.4]octane?
1-benzyl-1,7-diazaspiro[3.4]octane has a molecular weight of 202.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1,7-diazaspiro[3.4]octane is sourced from PubChem (CID 71302050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).