1-[3-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-methylmethanamine

C17H26N2 — CID 79677029

IUPAC1-[3-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(N2CC3(CCCCCC3)C2)c1
InChIInChI=1S/C17H26N2/c1-18-12-15-7-6-8-16(11-15)19-13-17(14-19)9-4-2-3-5-10-17/h6-8,11,18H,2-5,9-10,12-14H2,1H3
InChIKeyIWLLTPMFIJJAKZ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.57
Rot. Bonds3

About 1-[3-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-methylmethanamine

1-[3-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-methylmethanamine (PubChem CID 79677029) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[3-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-methylmethanamine
PubChem CID79677029
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[3-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(N2CC3(CCCCCC3)C2)c1
InChIInChI=1S/C17H26N2/c1-18-12-15-7-6-8-16(11-15)19-13-17(14-19)9-4-2-3-5-10-17/h6-8,11,18H,2-5,9-10,12-14H2,1H3
InChIKeyIWLLTPMFIJJAKZ-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-methylmethanamine (CID 79677029) is 1-[3-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-methylmethanamine is CNCc1cccc(N2CC3(CCCCCC3)C2)c1.
What is the InChIKey of 1-[3-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-methylmethanamine?
The InChIKey is IWLLTPMFIJJAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-18-12-15-7-6-8-16(11-15)19-13-17(14-19)9-4-2-3-5-10-17/h6-8,11,18H,2-5,9-10,12-14H2,1H3.
What are the key properties of 1-[3-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-methylmethanamine?
1-[3-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-methylmethanamine has a molecular weight of 258.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 79677029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).