9-methyl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane

C22H44N4 — CID 165130456

IUPAC9-methyl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCC2(CCNCC2)CC1.CN1CCC2(CCCNC2)CC1
InChIInChI=1S/C12H24N2.C10H20N2/c1-11(2)14-9-5-12(6-10-14)3-7-13-8-4-12;1-12-7-4-10(5-8-12)3-2-6-11-9-10/h11,13H,3-10H2,1-2H3;11H,2-9H2,1H3
InChIKeyNXSBXUMARFZBDF-UHFFFAOYSA-N
MW364.62 g/mol
LogP2.94
Rot. Bonds1

About 9-methyl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane

9-methyl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane (PubChem CID 165130456) has the molecular formula C22H44N4 and a molecular weight of 364.62 g/mol. Its IUPAC name is 9-methyl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-methyl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane
PubChem CID165130456
Molecular FormulaC22H44N4
Molecular Weight364.62 g/mol
Exact Mass364.36
IUPAC Name9-methyl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCC2(CCNCC2)CC1.CN1CCC2(CCCNC2)CC1
InChIInChI=1S/C12H24N2.C10H20N2/c1-11(2)14-9-5-12(6-10-14)3-7-13-8-4-12;1-12-7-4-10(5-8-12)3-2-6-11-9-10/h11,13H,3-10H2,1-2H3;11H,2-9H2,1H3
InChIKeyNXSBXUMARFZBDF-UHFFFAOYSA-N
XLogP2.94
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-methyl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane (CID 165130456) is 9-methyl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-methyl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-methyl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane is CC(C)N1CCC2(CCNCC2)CC1.CN1CCC2(CCCNC2)CC1.
What is the InChIKey of 9-methyl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane?
The InChIKey is NXSBXUMARFZBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C10H20N2/c1-11(2)14-9-5-12(6-10-14)3-7-13-8-4-12;1-12-7-4-10(5-8-12)3-2-6-11-9-10/h11,13H,3-10H2,1-2H3;11H,2-9H2,1H3.
What are the key properties of 9-methyl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane?
9-methyl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane has a molecular weight of 364.62 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 165130456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).