2-ethylpropane-1,1,3,3-tetracarbonitrile

C9H8N4 — CID 14615450

IUPAC2-ethylpropane-1,1,3,3-tetracarbonitrile
SMILESCCC(C(C#N)C#N)C(C#N)C#N
InChIInChI=1S/C9H8N4/c1-2-9(7(3-10)4-11)8(5-12)6-13/h7-9H,2H2,1H3
InChIKeyDTYVAWGUBLOTLE-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.34
Rot. Bonds3

About 2-ethylpropane-1,1,3,3-tetracarbonitrile

2-ethylpropane-1,1,3,3-tetracarbonitrile (PubChem CID 14615450) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-ethylpropane-1,1,3,3-tetracarbonitrile.

Molecular Properties

Compound Name2-ethylpropane-1,1,3,3-tetracarbonitrile
PubChem CID14615450
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name2-ethylpropane-1,1,3,3-tetracarbonitrile
SMILESCCC(C(C#N)C#N)C(C#N)C#N
InChIInChI=1S/C9H8N4/c1-2-9(7(3-10)4-11)8(5-12)6-13/h7-9H,2H2,1H3
InChIKeyDTYVAWGUBLOTLE-UHFFFAOYSA-N
XLogP1.34
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-3-methylbutanenitrile
CID 20435656
2-Ethyl-3-methylvaleronitrile
CID 122528
2-(Propan-2-yl)pentanenitrile
CID 12544860
2-Ethyl-4-methylpentanenitrile
CID 20781419
2-Ethyl-3,3-dimethylbutanenitrile
CID 86204496
2-Ethylhexanedinitrile
CID 89844327
2-(2-Methylpropyl)butanedinitrile
CID 16116128
Butanedinitrile, 2,3-bis(1-methylethyl)-
CID 145071
Succinonitrile, isopropyl-
CID 136868
3,4,4-Trimethylpentanenitrile
CID 13658451
2-Isopropyl-3-methylbutanenitrile
CID 13699841
3-Ethylhexanenitrile
CID 57041582

Frequently Asked Questions

What is the IUPAC name of 2-ethylpropane-1,1,3,3-tetracarbonitrile?
The IUPAC name of 2-ethylpropane-1,1,3,3-tetracarbonitrile (CID 14615450) is 2-ethylpropane-1,1,3,3-tetracarbonitrile.
What is the SMILES notation for 2-ethylpropane-1,1,3,3-tetracarbonitrile?
The canonical SMILES for 2-ethylpropane-1,1,3,3-tetracarbonitrile is CCC(C(C#N)C#N)C(C#N)C#N.
What is the InChIKey of 2-ethylpropane-1,1,3,3-tetracarbonitrile?
The InChIKey is DTYVAWGUBLOTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c1-2-9(7(3-10)4-11)8(5-12)6-13/h7-9H,2H2,1H3.
What are the key properties of 2-ethylpropane-1,1,3,3-tetracarbonitrile?
2-ethylpropane-1,1,3,3-tetracarbonitrile has a molecular weight of 172.19 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpropane-1,1,3,3-tetracarbonitrile is sourced from PubChem (CID 14615450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).