2-[2-(dimethylamino)ethylamino]-4,4-dimethoxybutanenitrile

C10H21N3O2 — CID 66270339

IUPAC2-[2-(dimethylamino)ethylamino]-4,4-dimethoxybutanenitrile
SMILESCOC(CC(C#N)NCCN(C)C)OC
InChIInChI=1S/C10H21N3O2/c1-13(2)6-5-12-9(8-11)7-10(14-3)15-4/h9-10,12H,5-7H2,1-4H3
InChIKeyKPMFZUGNPVFRKF-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.04
Rot. Bonds8

About 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxybutanenitrile

2-[2-(dimethylamino)ethylamino]-4,4-dimethoxybutanenitrile (PubChem CID 66270339) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxybutanenitrile.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-4,4-dimethoxybutanenitrile
PubChem CID66270339
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[2-(dimethylamino)ethylamino]-4,4-dimethoxybutanenitrile
SMILESCOC(CC(C#N)NCCN(C)C)OC
InChIInChI=1S/C10H21N3O2/c1-13(2)6-5-12-9(8-11)7-10(14-3)15-4/h9-10,12H,5-7H2,1-4H3
InChIKeyKPMFZUGNPVFRKF-UHFFFAOYSA-N
XLogP0.04
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxybutanenitrile?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxybutanenitrile (CID 66270339) is 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxybutanenitrile.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxybutanenitrile?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxybutanenitrile is COC(CC(C#N)NCCN(C)C)OC.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxybutanenitrile?
The InChIKey is KPMFZUGNPVFRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-13(2)6-5-12-9(8-11)7-10(14-3)15-4/h9-10,12H,5-7H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxybutanenitrile?
2-[2-(dimethylamino)ethylamino]-4,4-dimethoxybutanenitrile has a molecular weight of 215.30 g/mol, XLogP of 0.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxybutanenitrile is sourced from PubChem (CID 66270339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).