3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile

C16H22N2 — CID 47540982

IUPAC3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile
SMILESCCCN(CCC#N)C1CCc2ccccc2C1
InChIInChI=1S/C16H22N2/c1-2-11-18(12-5-10-17)16-9-8-14-6-3-4-7-15(14)13-16/h3-4,6-7,16H,2,5,8-9,11-13H2,1H3
InChIKeySGGAVWNKJHJPHE-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.17
Rot. Bonds5

About 3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile

3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile (PubChem CID 47540982) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile
PubChem CID47540982
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile
SMILESCCCN(CCC#N)C1CCc2ccccc2C1
InChIInChI=1S/C16H22N2/c1-2-11-18(12-5-10-17)16-9-8-14-6-3-4-7-15(14)13-16/h3-4,6-7,16H,2,5,8-9,11-13H2,1H3
InChIKeySGGAVWNKJHJPHE-UHFFFAOYSA-N
XLogP3.17
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile?
The IUPAC name of 3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile (CID 47540982) is 3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile.
What is the SMILES notation for 3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile?
The canonical SMILES for 3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile is CCCN(CCC#N)C1CCc2ccccc2C1.
What is the InChIKey of 3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile?
The InChIKey is SGGAVWNKJHJPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-11-18(12-5-10-17)16-9-8-14-6-3-4-7-15(14)13-16/h3-4,6-7,16H,2,5,8-9,11-13H2,1H3.
What are the key properties of 3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile?
3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile has a molecular weight of 242.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile is sourced from PubChem (CID 47540982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).