3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile

C17H27N3 — CID 64538576

IUPAC3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile
SMILESCC(C)CN(CCN(C)C)CC(C#N)c1ccccc1
InChIInChI=1S/C17H27N3/c1-15(2)13-20(11-10-19(3)4)14-17(12-18)16-8-6-5-7-9-16/h5-9,15,17H,10-11,13-14H2,1-4H3
InChIKeyUIJRIFXHFXPKGF-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.81
Rot. Bonds8

About 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile

3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile (PubChem CID 64538576) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile
PubChem CID64538576
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile
SMILESCC(C)CN(CCN(C)C)CC(C#N)c1ccccc1
InChIInChI=1S/C17H27N3/c1-15(2)13-20(11-10-19(3)4)14-17(12-18)16-8-6-5-7-9-16/h5-9,15,17H,10-11,13-14H2,1-4H3
InChIKeyUIJRIFXHFXPKGF-UHFFFAOYSA-N
XLogP2.81
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile?
The IUPAC name of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile (CID 64538576) is 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile is CC(C)CN(CCN(C)C)CC(C#N)c1ccccc1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile?
The InChIKey is UIJRIFXHFXPKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-15(2)13-20(11-10-19(3)4)14-17(12-18)16-8-6-5-7-9-16/h5-9,15,17H,10-11,13-14H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile?
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile has a molecular weight of 273.42 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile is sourced from PubChem (CID 64538576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).