2-(dimethylamino)propane-1,1,3,3-tetracarbonitrile

C9H9N5 — CID 86253478

IUPAC2-(dimethylamino)propane-1,1,3,3-tetracarbonitrile
SMILESCN(C)C(C(C#N)C#N)C(C#N)C#N
InChIInChI=1S/C9H9N5/c1-14(2)9(7(3-10)4-11)8(5-12)6-13/h7-9H,1-2H3
InChIKeyLJHVABPNLMWVPS-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.24
Rot. Bonds3

About 2-(dimethylamino)propane-1,1,3,3-tetracarbonitrile

2-(dimethylamino)propane-1,1,3,3-tetracarbonitrile (PubChem CID 86253478) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is 2-(dimethylamino)propane-1,1,3,3-tetracarbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)propane-1,1,3,3-tetracarbonitrile
PubChem CID86253478
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name2-(dimethylamino)propane-1,1,3,3-tetracarbonitrile
SMILESCN(C)C(C(C#N)C#N)C(C#N)C#N
InChIInChI=1S/C9H9N5/c1-14(2)9(7(3-10)4-11)8(5-12)6-13/h7-9H,1-2H3
InChIKeyLJHVABPNLMWVPS-UHFFFAOYSA-N
XLogP0.24
TPSA98.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propane-1,1,3,3-tetracarbonitrile?
The IUPAC name of 2-(dimethylamino)propane-1,1,3,3-tetracarbonitrile (CID 86253478) is 2-(dimethylamino)propane-1,1,3,3-tetracarbonitrile.
What is the SMILES notation for 2-(dimethylamino)propane-1,1,3,3-tetracarbonitrile?
The canonical SMILES for 2-(dimethylamino)propane-1,1,3,3-tetracarbonitrile is CN(C)C(C(C#N)C#N)C(C#N)C#N.
What is the InChIKey of 2-(dimethylamino)propane-1,1,3,3-tetracarbonitrile?
The InChIKey is LJHVABPNLMWVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c1-14(2)9(7(3-10)4-11)8(5-12)6-13/h7-9H,1-2H3.
What are the key properties of 2-(dimethylamino)propane-1,1,3,3-tetracarbonitrile?
2-(dimethylamino)propane-1,1,3,3-tetracarbonitrile has a molecular weight of 187.21 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)propane-1,1,3,3-tetracarbonitrile is sourced from PubChem (CID 86253478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).