2-[(dimethylamino)methyl]butanedinitrile

C7H11N3 — CID 175439060

IUPAC2-[(dimethylamino)methyl]butanedinitrile
SMILESCN(C)CC(C#N)CC#N
InChIInChI=1S/C7H11N3/c1-10(2)6-7(5-9)3-4-8/h7H,3,6H2,1-2H3
InChIKeyHRSYDFSBYUAUAO-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.60
Rot. Bonds3

About 2-[(dimethylamino)methyl]butanedinitrile

2-[(dimethylamino)methyl]butanedinitrile (PubChem CID 175439060) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]butanedinitrile.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]butanedinitrile
PubChem CID175439060
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2-[(dimethylamino)methyl]butanedinitrile
SMILESCN(C)CC(C#N)CC#N
InChIInChI=1S/C7H11N3/c1-10(2)6-7(5-9)3-4-8/h7H,3,6H2,1-2H3
InChIKeyHRSYDFSBYUAUAO-UHFFFAOYSA-N
XLogP0.60
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]butanedinitrile?
The IUPAC name of 2-[(dimethylamino)methyl]butanedinitrile (CID 175439060) is 2-[(dimethylamino)methyl]butanedinitrile.
What is the SMILES notation for 2-[(dimethylamino)methyl]butanedinitrile?
The canonical SMILES for 2-[(dimethylamino)methyl]butanedinitrile is CN(C)CC(C#N)CC#N.
What is the InChIKey of 2-[(dimethylamino)methyl]butanedinitrile?
The InChIKey is HRSYDFSBYUAUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-10(2)6-7(5-9)3-4-8/h7H,3,6H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]butanedinitrile?
2-[(dimethylamino)methyl]butanedinitrile has a molecular weight of 137.19 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]butanedinitrile is sourced from PubChem (CID 175439060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).