4-(aminomethyl)-2-cyclopropylbenzonitrile

C11H12N2 — CID 177223075

IUPAC4-(aminomethyl)-2-cyclopropylbenzonitrile
SMILESN#Cc1ccc(CN)cc1C1CC1
InChIInChI=1S/C11H12N2/c12-6-8-1-2-10(7-13)11(5-8)9-3-4-9/h1-2,5,9H,3-4,6,12H2
InChIKeyZLOIFEKKMFJPDF-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.89
Rot. Bonds2

About 4-(aminomethyl)-2-cyclopropylbenzonitrile

4-(aminomethyl)-2-cyclopropylbenzonitrile (PubChem CID 177223075) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-(aminomethyl)-2-cyclopropylbenzonitrile.

Molecular Properties

Compound Name4-(aminomethyl)-2-cyclopropylbenzonitrile
PubChem CID177223075
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name4-(aminomethyl)-2-cyclopropylbenzonitrile
SMILESN#Cc1ccc(CN)cc1C1CC1
InChIInChI=1S/C11H12N2/c12-6-8-1-2-10(7-13)11(5-8)9-3-4-9/h1-2,5,9H,3-4,6,12H2
InChIKeyZLOIFEKKMFJPDF-UHFFFAOYSA-N
XLogP1.89
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-cyclopropylbenzonitrile?
The IUPAC name of 4-(aminomethyl)-2-cyclopropylbenzonitrile (CID 177223075) is 4-(aminomethyl)-2-cyclopropylbenzonitrile.
What is the SMILES notation for 4-(aminomethyl)-2-cyclopropylbenzonitrile?
The canonical SMILES for 4-(aminomethyl)-2-cyclopropylbenzonitrile is N#Cc1ccc(CN)cc1C1CC1.
What is the InChIKey of 4-(aminomethyl)-2-cyclopropylbenzonitrile?
The InChIKey is ZLOIFEKKMFJPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c12-6-8-1-2-10(7-13)11(5-8)9-3-4-9/h1-2,5,9H,3-4,6,12H2.
What are the key properties of 4-(aminomethyl)-2-cyclopropylbenzonitrile?
4-(aminomethyl)-2-cyclopropylbenzonitrile has a molecular weight of 172.23 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-cyclopropylbenzonitrile is sourced from PubChem (CID 177223075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).