2-[(2-aminocyclopropyl)amino]-4-methylbenzonitrile

C11H13N3 — CID 62307820

IUPAC2-[(2-aminocyclopropyl)amino]-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(NC2CC2N)c1
InChIInChI=1S/C11H13N3/c1-7-2-3-8(6-12)10(4-7)14-11-5-9(11)13/h2-4,9,11,14H,5,13H2,1H3
InChIKeyXRLIRJNZEZIPEG-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.38
Rot. Bonds2

About 2-[(2-aminocyclopropyl)amino]-4-methylbenzonitrile

2-[(2-aminocyclopropyl)amino]-4-methylbenzonitrile (PubChem CID 62307820) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-[(2-aminocyclopropyl)amino]-4-methylbenzonitrile.

Molecular Properties

Compound Name2-[(2-aminocyclopropyl)amino]-4-methylbenzonitrile
PubChem CID62307820
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-[(2-aminocyclopropyl)amino]-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(NC2CC2N)c1
InChIInChI=1S/C11H13N3/c1-7-2-3-8(6-12)10(4-7)14-11-5-9(11)13/h2-4,9,11,14H,5,13H2,1H3
InChIKeyXRLIRJNZEZIPEG-UHFFFAOYSA-N
XLogP1.38
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclopropyl)amino]-4-methylbenzonitrile?
The IUPAC name of 2-[(2-aminocyclopropyl)amino]-4-methylbenzonitrile (CID 62307820) is 2-[(2-aminocyclopropyl)amino]-4-methylbenzonitrile.
What is the SMILES notation for 2-[(2-aminocyclopropyl)amino]-4-methylbenzonitrile?
The canonical SMILES for 2-[(2-aminocyclopropyl)amino]-4-methylbenzonitrile is Cc1ccc(C#N)c(NC2CC2N)c1.
What is the InChIKey of 2-[(2-aminocyclopropyl)amino]-4-methylbenzonitrile?
The InChIKey is XRLIRJNZEZIPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7-2-3-8(6-12)10(4-7)14-11-5-9(11)13/h2-4,9,11,14H,5,13H2,1H3.
What are the key properties of 2-[(2-aminocyclopropyl)amino]-4-methylbenzonitrile?
2-[(2-aminocyclopropyl)amino]-4-methylbenzonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclopropyl)amino]-4-methylbenzonitrile is sourced from PubChem (CID 62307820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).