(6-benzyl-6-azaspiro[3.4]octan-8-yl)methanamine

C15H22N2 — CID 122163204

IUPAC(6-benzyl-6-azaspiro[3.4]octan-8-yl)methanamine
SMILESNCC1CN(Cc2ccccc2)CC12CCC2
InChIInChI=1S/C15H22N2/c16-9-14-11-17(12-15(14)7-4-8-15)10-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,16H2
InChIKeyGMASNXQZSDUFSG-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.25
Rot. Bonds3

About (6-benzyl-6-azaspiro[3.4]octan-8-yl)methanamine

(6-benzyl-6-azaspiro[3.4]octan-8-yl)methanamine (PubChem CID 122163204) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is (6-benzyl-6-azaspiro[3.4]octan-8-yl)methanamine.

Molecular Properties

Compound Name(6-benzyl-6-azaspiro[3.4]octan-8-yl)methanamine
PubChem CID122163204
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name(6-benzyl-6-azaspiro[3.4]octan-8-yl)methanamine
SMILESNCC1CN(Cc2ccccc2)CC12CCC2
InChIInChI=1S/C15H22N2/c16-9-14-11-17(12-15(14)7-4-8-15)10-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,16H2
InChIKeyGMASNXQZSDUFSG-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-benzyl-6-azaspiro[3.4]octan-8-yl)methanamine?
The IUPAC name of (6-benzyl-6-azaspiro[3.4]octan-8-yl)methanamine (CID 122163204) is (6-benzyl-6-azaspiro[3.4]octan-8-yl)methanamine.
What is the SMILES notation for (6-benzyl-6-azaspiro[3.4]octan-8-yl)methanamine?
The canonical SMILES for (6-benzyl-6-azaspiro[3.4]octan-8-yl)methanamine is NCC1CN(Cc2ccccc2)CC12CCC2.
What is the InChIKey of (6-benzyl-6-azaspiro[3.4]octan-8-yl)methanamine?
The InChIKey is GMASNXQZSDUFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-9-14-11-17(12-15(14)7-4-8-15)10-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,16H2.
What are the key properties of (6-benzyl-6-azaspiro[3.4]octan-8-yl)methanamine?
(6-benzyl-6-azaspiro[3.4]octan-8-yl)methanamine has a molecular weight of 230.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzyl-6-azaspiro[3.4]octan-8-yl)methanamine is sourced from PubChem (CID 122163204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).