2-[2-[(2-methylcyclohexyl)amino]ethyl]propanedinitrile

C12H19N3 — CID 175601005

IUPAC2-[2-[(2-methylcyclohexyl)amino]ethyl]propanedinitrile
SMILESCC1CCCCC1NCCC(C#N)C#N
InChIInChI=1S/C12H19N3/c1-10-4-2-3-5-12(10)15-7-6-11(8-13)9-14/h10-12,15H,2-7H2,1H3
InChIKeyKYRYGMKXYKTEQW-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.21
Rot. Bonds4

About 2-[2-[(2-methylcyclohexyl)amino]ethyl]propanedinitrile

2-[2-[(2-methylcyclohexyl)amino]ethyl]propanedinitrile (PubChem CID 175601005) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[2-[(2-methylcyclohexyl)amino]ethyl]propanedinitrile.

Molecular Properties

Compound Name2-[2-[(2-methylcyclohexyl)amino]ethyl]propanedinitrile
PubChem CID175601005
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name2-[2-[(2-methylcyclohexyl)amino]ethyl]propanedinitrile
SMILESCC1CCCCC1NCCC(C#N)C#N
InChIInChI=1S/C12H19N3/c1-10-4-2-3-5-12(10)15-7-6-11(8-13)9-14/h10-12,15H,2-7H2,1H3
InChIKeyKYRYGMKXYKTEQW-UHFFFAOYSA-N
XLogP2.21
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylcyclohexyl)amino]ethyl]propanedinitrile?
The IUPAC name of 2-[2-[(2-methylcyclohexyl)amino]ethyl]propanedinitrile (CID 175601005) is 2-[2-[(2-methylcyclohexyl)amino]ethyl]propanedinitrile.
What is the SMILES notation for 2-[2-[(2-methylcyclohexyl)amino]ethyl]propanedinitrile?
The canonical SMILES for 2-[2-[(2-methylcyclohexyl)amino]ethyl]propanedinitrile is CC1CCCCC1NCCC(C#N)C#N.
What is the InChIKey of 2-[2-[(2-methylcyclohexyl)amino]ethyl]propanedinitrile?
The InChIKey is KYRYGMKXYKTEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10-4-2-3-5-12(10)15-7-6-11(8-13)9-14/h10-12,15H,2-7H2,1H3.
What are the key properties of 2-[2-[(2-methylcyclohexyl)amino]ethyl]propanedinitrile?
2-[2-[(2-methylcyclohexyl)amino]ethyl]propanedinitrile has a molecular weight of 205.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylcyclohexyl)amino]ethyl]propanedinitrile is sourced from PubChem (CID 175601005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).