3-amino-3-phenylpropanenitrile

C9H10N2 — CID 15398775

IUPAC3-amino-3-phenylpropanenitrile
SMILESN#CCC(N)c1ccccc1
InChIInChI=1S/C9H10N2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9H,6,11H2
InChIKeyYHBWEFKGUHZLOA-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.60
Rot. Bonds2

About 3-amino-3-phenylpropanenitrile

3-amino-3-phenylpropanenitrile (PubChem CID 15398775) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-amino-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-amino-3-phenylpropanenitrile
PubChem CID15398775
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3-amino-3-phenylpropanenitrile
SMILESN#CCC(N)c1ccccc1
InChIInChI=1S/C9H10N2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9H,6,11H2
InChIKeyYHBWEFKGUHZLOA-UHFFFAOYSA-N
XLogP1.60
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenylpropanenitrile?
The IUPAC name of 3-amino-3-phenylpropanenitrile (CID 15398775) is 3-amino-3-phenylpropanenitrile.
What is the SMILES notation for 3-amino-3-phenylpropanenitrile?
The canonical SMILES for 3-amino-3-phenylpropanenitrile is N#CCC(N)c1ccccc1.
What is the InChIKey of 3-amino-3-phenylpropanenitrile?
The InChIKey is YHBWEFKGUHZLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9H,6,11H2.
What are the key properties of 3-amino-3-phenylpropanenitrile?
3-amino-3-phenylpropanenitrile has a molecular weight of 146.19 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenylpropanenitrile is sourced from PubChem (CID 15398775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).