2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile

C13H21N3 — CID 175600999

IUPAC2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile
SMILESCC1CCCC(NCCC(C#N)C#N)C1C
InChIInChI=1S/C13H21N3/c1-10-4-3-5-13(11(10)2)16-7-6-12(8-14)9-15/h10-13,16H,3-7H2,1-2H3
InChIKeyUBKGIYMBKZTDPC-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.45
Rot. Bonds4

About 2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile

2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile (PubChem CID 175600999) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile.

Molecular Properties

Compound Name2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile
PubChem CID175600999
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile
SMILESCC1CCCC(NCCC(C#N)C#N)C1C
InChIInChI=1S/C13H21N3/c1-10-4-3-5-13(11(10)2)16-7-6-12(8-14)9-15/h10-13,16H,3-7H2,1-2H3
InChIKeyUBKGIYMBKZTDPC-UHFFFAOYSA-N
XLogP2.45
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile?
The IUPAC name of 2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile (CID 175600999) is 2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile.
What is the SMILES notation for 2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile?
The canonical SMILES for 2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile is CC1CCCC(NCCC(C#N)C#N)C1C.
What is the InChIKey of 2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile?
The InChIKey is UBKGIYMBKZTDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-4-3-5-13(11(10)2)16-7-6-12(8-14)9-15/h10-13,16H,3-7H2,1-2H3.
What are the key properties of 2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile?
2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile has a molecular weight of 219.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile is sourced from PubChem (CID 175600999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).