7-ethyl-N,5-dimethyl-5-azaspiro[3.5]nonan-8-amine

C12H24N2 — CID 122534562

IUPAC7-ethyl-N,5-dimethyl-5-azaspiro[3.5]nonan-8-amine
SMILESCCC1CN(C)C2(CCC2)CC1NC
InChIInChI=1S/C12H24N2/c1-4-10-9-14(3)12(6-5-7-12)8-11(10)13-2/h10-11,13H,4-9H2,1-3H3
InChIKeyXSXDILKIOOTLCJ-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds2

About 7-ethyl-N,5-dimethyl-5-azaspiro[3.5]nonan-8-amine

7-ethyl-N,5-dimethyl-5-azaspiro[3.5]nonan-8-amine (PubChem CID 122534562) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 7-ethyl-N,5-dimethyl-5-azaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound Name7-ethyl-N,5-dimethyl-5-azaspiro[3.5]nonan-8-amine
PubChem CID122534562
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name7-ethyl-N,5-dimethyl-5-azaspiro[3.5]nonan-8-amine
SMILESCCC1CN(C)C2(CCC2)CC1NC
InChIInChI=1S/C12H24N2/c1-4-10-9-14(3)12(6-5-7-12)8-11(10)13-2/h10-11,13H,4-9H2,1-3H3
InChIKeyXSXDILKIOOTLCJ-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N,5-dimethyl-5-azaspiro[3.5]nonan-8-amine?
The IUPAC name of 7-ethyl-N,5-dimethyl-5-azaspiro[3.5]nonan-8-amine (CID 122534562) is 7-ethyl-N,5-dimethyl-5-azaspiro[3.5]nonan-8-amine.
What is the SMILES notation for 7-ethyl-N,5-dimethyl-5-azaspiro[3.5]nonan-8-amine?
The canonical SMILES for 7-ethyl-N,5-dimethyl-5-azaspiro[3.5]nonan-8-amine is CCC1CN(C)C2(CCC2)CC1NC.
What is the InChIKey of 7-ethyl-N,5-dimethyl-5-azaspiro[3.5]nonan-8-amine?
The InChIKey is XSXDILKIOOTLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-10-9-14(3)12(6-5-7-12)8-11(10)13-2/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 7-ethyl-N,5-dimethyl-5-azaspiro[3.5]nonan-8-amine?
7-ethyl-N,5-dimethyl-5-azaspiro[3.5]nonan-8-amine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N,5-dimethyl-5-azaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 122534562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).