N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine

C11H22N2 — CID 130138088

IUPACN-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine
SMILESCCNCC1CC12CCN(C)CC2
InChIInChI=1S/C11H22N2/c1-3-12-9-10-8-11(10)4-6-13(2)7-5-11/h10,12H,3-9H2,1-2H3
InChIKeyPGFVJADPVGNAAU-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.33
Rot. Bonds3

About N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine

N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine (PubChem CID 130138088) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine
PubChem CID130138088
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine
SMILESCCNCC1CC12CCN(C)CC2
InChIInChI=1S/C11H22N2/c1-3-12-9-10-8-11(10)4-6-13(2)7-5-11/h10,12H,3-9H2,1-2H3
InChIKeyPGFVJADPVGNAAU-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine (CID 130138088) is N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine is CCNCC1CC12CCN(C)CC2.
What is the InChIKey of N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine?
The InChIKey is PGFVJADPVGNAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-12-9-10-8-11(10)4-6-13(2)7-5-11/h10,12H,3-9H2,1-2H3.
What are the key properties of N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine?
N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine has a molecular weight of 182.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine is sourced from PubChem (CID 130138088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).