1-methylidene-9-propan-2-yl-2,9-diazaspiro[5.5]undecane

C13H24N2 — CID 58547416

IUPAC1-methylidene-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
SMILESC=C1NCCCC12CCN(C(C)C)CC2
InChIInChI=1S/C13H24N2/c1-11(2)15-9-6-13(7-10-15)5-4-8-14-12(13)3/h11,14H,3-10H2,1-2H3
InChIKeyIYMPCOMEVOISGI-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.37
Rot. Bonds1

About 1-methylidene-9-propan-2-yl-2,9-diazaspiro[5.5]undecane

1-methylidene-9-propan-2-yl-2,9-diazaspiro[5.5]undecane (PubChem CID 58547416) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-methylidene-9-propan-2-yl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-methylidene-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
PubChem CID58547416
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-methylidene-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
SMILESC=C1NCCCC12CCN(C(C)C)CC2
InChIInChI=1S/C13H24N2/c1-11(2)15-9-6-13(7-10-15)5-4-8-14-12(13)3/h11,14H,3-10H2,1-2H3
InChIKeyIYMPCOMEVOISGI-UHFFFAOYSA-N
XLogP2.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methylidene-9-propan-2-yl-2,9-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-9-propan-2-yl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-methylidene-9-propan-2-yl-2,9-diazaspiro[5.5]undecane (CID 58547416) is 1-methylidene-9-propan-2-yl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-methylidene-9-propan-2-yl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-methylidene-9-propan-2-yl-2,9-diazaspiro[5.5]undecane is C=C1NCCCC12CCN(C(C)C)CC2.
What is the InChIKey of 1-methylidene-9-propan-2-yl-2,9-diazaspiro[5.5]undecane?
The InChIKey is IYMPCOMEVOISGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-11(2)15-9-6-13(7-10-15)5-4-8-14-12(13)3/h11,14H,3-10H2,1-2H3.
What are the key properties of 1-methylidene-9-propan-2-yl-2,9-diazaspiro[5.5]undecane?
1-methylidene-9-propan-2-yl-2,9-diazaspiro[5.5]undecane has a molecular weight of 208.35 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-9-propan-2-yl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 58547416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).