4-[1-(aminomethyl)cyclopropyl]benzonitrile

C11H12N2 — CID 117276943

IUPAC4-[1-(aminomethyl)cyclopropyl]benzonitrile
SMILESN#Cc1ccc(C2(CN)CC2)cc1
InChIInChI=1S/C11H12N2/c12-7-9-1-3-10(4-2-9)11(8-13)5-6-11/h1-4H,5-6,8,13H2
InChIKeyGHCWRMULOXOLDE-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.55
Rot. Bonds2

About 4-[1-(aminomethyl)cyclopropyl]benzonitrile

4-[1-(aminomethyl)cyclopropyl]benzonitrile (PubChem CID 117276943) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclopropyl]benzonitrile.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclopropyl]benzonitrile
PubChem CID117276943
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name4-[1-(aminomethyl)cyclopropyl]benzonitrile
SMILESN#Cc1ccc(C2(CN)CC2)cc1
InChIInChI=1S/C11H12N2/c12-7-9-1-3-10(4-2-9)11(8-13)5-6-11/h1-4H,5-6,8,13H2
InChIKeyGHCWRMULOXOLDE-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclopropyl]benzonitrile?
The IUPAC name of 4-[1-(aminomethyl)cyclopropyl]benzonitrile (CID 117276943) is 4-[1-(aminomethyl)cyclopropyl]benzonitrile.
What is the SMILES notation for 4-[1-(aminomethyl)cyclopropyl]benzonitrile?
The canonical SMILES for 4-[1-(aminomethyl)cyclopropyl]benzonitrile is N#Cc1ccc(C2(CN)CC2)cc1.
What is the InChIKey of 4-[1-(aminomethyl)cyclopropyl]benzonitrile?
The InChIKey is GHCWRMULOXOLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c12-7-9-1-3-10(4-2-9)11(8-13)5-6-11/h1-4H,5-6,8,13H2.
What are the key properties of 4-[1-(aminomethyl)cyclopropyl]benzonitrile?
4-[1-(aminomethyl)cyclopropyl]benzonitrile has a molecular weight of 172.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclopropyl]benzonitrile is sourced from PubChem (CID 117276943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).