3-methyl-2,4-dimethylidene-1,3-diazaspiro[4.5]decane

C11H18N2 — CID 170232639

IUPAC3-methyl-2,4-dimethylidene-1,3-diazaspiro[4.5]decane
SMILESC=C1NC2(CCCCC2)C(=C)N1C
InChIInChI=1S/C11H18N2/c1-9-11(7-5-4-6-8-11)12-10(2)13(9)3/h12H,1-2,4-8H2,3H3
InChIKeyDHKXIZLMQJUIBE-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.21
Rot. Bonds

About 3-methyl-2,4-dimethylidene-1,3-diazaspiro[4.5]decane

3-methyl-2,4-dimethylidene-1,3-diazaspiro[4.5]decane (PubChem CID 170232639) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-methyl-2,4-dimethylidene-1,3-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-methyl-2,4-dimethylidene-1,3-diazaspiro[4.5]decane
PubChem CID170232639
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-methyl-2,4-dimethylidene-1,3-diazaspiro[4.5]decane
SMILESC=C1NC2(CCCCC2)C(=C)N1C
InChIInChI=1S/C11H18N2/c1-9-11(7-5-4-6-8-11)12-10(2)13(9)3/h12H,1-2,4-8H2,3H3
InChIKeyDHKXIZLMQJUIBE-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-dimethylidene-1,3-diazaspiro[4.5]decane?
The IUPAC name of 3-methyl-2,4-dimethylidene-1,3-diazaspiro[4.5]decane (CID 170232639) is 3-methyl-2,4-dimethylidene-1,3-diazaspiro[4.5]decane.
What is the SMILES notation for 3-methyl-2,4-dimethylidene-1,3-diazaspiro[4.5]decane?
The canonical SMILES for 3-methyl-2,4-dimethylidene-1,3-diazaspiro[4.5]decane is C=C1NC2(CCCCC2)C(=C)N1C.
What is the InChIKey of 3-methyl-2,4-dimethylidene-1,3-diazaspiro[4.5]decane?
The InChIKey is DHKXIZLMQJUIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-11(7-5-4-6-8-11)12-10(2)13(9)3/h12H,1-2,4-8H2,3H3.
What are the key properties of 3-methyl-2,4-dimethylidene-1,3-diazaspiro[4.5]decane?
3-methyl-2,4-dimethylidene-1,3-diazaspiro[4.5]decane has a molecular weight of 178.28 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-dimethylidene-1,3-diazaspiro[4.5]decane is sourced from PubChem (CID 170232639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).