3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile

C9H15FN2 — CID 81105424

IUPAC3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile
SMILESN#CCCN(CCCF)C1CC1
InChIInChI=1S/C9H15FN2/c10-5-1-7-12(8-2-6-11)9-3-4-9/h9H,1-5,7-8H2
InChIKeyOLPFQXHGKSIDMD-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.72
Rot. Bonds6

About 3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile

3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile (PubChem CID 81105424) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile
PubChem CID81105424
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile
SMILESN#CCCN(CCCF)C1CC1
InChIInChI=1S/C9H15FN2/c10-5-1-7-12(8-2-6-11)9-3-4-9/h9H,1-5,7-8H2
InChIKeyOLPFQXHGKSIDMD-UHFFFAOYSA-N
XLogP1.72
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile (CID 81105424) is 3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile is N#CCCN(CCCF)C1CC1.
What is the InChIKey of 3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile?
The InChIKey is OLPFQXHGKSIDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c10-5-1-7-12(8-2-6-11)9-3-4-9/h9H,1-5,7-8H2.
What are the key properties of 3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile?
3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile has a molecular weight of 170.23 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile is sourced from PubChem (CID 81105424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).