2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile

C9H19N3 — CID 62636607

IUPAC2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile
SMILESCCC(C#N)NCCN(C)CC
InChIInChI=1S/C9H19N3/c1-4-9(8-10)11-6-7-12(3)5-2/h9,11H,4-7H2,1-3H3
InChIKeyMUXVVIZKNREUDS-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.83
Rot. Bonds6

About 2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile

2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile (PubChem CID 62636607) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile
PubChem CID62636607
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile
SMILESCCC(C#N)NCCN(C)CC
InChIInChI=1S/C9H19N3/c1-4-9(8-10)11-6-7-12(3)5-2/h9,11H,4-7H2,1-3H3
InChIKeyMUXVVIZKNREUDS-UHFFFAOYSA-N
XLogP0.83
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[ethyl(methyl)amino]ethylamino]butanenitrile
CID 62641386
2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile
CID 61005347
N'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
CID 62636047
2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid
CID 64670148
3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide
CID 66432290
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142870975
3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile
CID 62639936
2-[2-(diethylamino)ethylamino]-4,4-dimethoxybutanenitrile
CID 66270526
4-[ethyl(methyl)amino]-2-methylbutanenitrile
CID 88586045
2-(4-propan-2-yloxybutylamino)butanenitrile
CID 106009913
2-[2-(dimethylamino)ethylamino]-4,4-dimethoxybutanenitrile
CID 66270339
(1S)-N'-(1-aminopropyl)-N"-[[2-[ethyl(methyl)amino]ethylamino]-(methylamino)methyl]methanetriamine
CID 163494880

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile?
The IUPAC name of 2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile (CID 62636607) is 2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile is CCC(C#N)NCCN(C)CC.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile?
The InChIKey is MUXVVIZKNREUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-4-9(8-10)11-6-7-12(3)5-2/h9,11H,4-7H2,1-3H3.
What are the key properties of 2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile?
2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile has a molecular weight of 169.27 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile is sourced from PubChem (CID 62636607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).