3-[2-[ethyl(methyl)amino]ethylamino]butanenitrile

C9H19N3 — CID 62641386

IUPAC3-[2-[ethyl(methyl)amino]ethylamino]butanenitrile
SMILESCCN(C)CCNC(C)CC#N
InChIInChI=1S/C9H19N3/c1-4-12(3)8-7-11-9(2)5-6-10/h9,11H,4-5,7-8H2,1-3H3
InChIKeyNFGMDXBVWZUVNQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.83
Rot. Bonds6

About 3-[2-[ethyl(methyl)amino]ethylamino]butanenitrile

3-[2-[ethyl(methyl)amino]ethylamino]butanenitrile (PubChem CID 62641386) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-[2-[ethyl(methyl)amino]ethylamino]butanenitrile.

Molecular Properties

Compound Name3-[2-[ethyl(methyl)amino]ethylamino]butanenitrile
PubChem CID62641386
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name3-[2-[ethyl(methyl)amino]ethylamino]butanenitrile
SMILESCCN(C)CCNC(C)CC#N
InChIInChI=1S/C9H19N3/c1-4-12(3)8-7-11-9(2)5-6-10/h9,11H,4-5,7-8H2,1-3H3
InChIKeyNFGMDXBVWZUVNQ-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-[2-methoxyethyl(methyl)amino]ethylamino]butanenitrile
CID 62842933
2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile
CID 62636607
3-(butylamino)butanenitrile
CID 60915360
(3R)-3-(ethylamino)butanenitrile
CID 93383163
3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile
CID 62639936
ethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate
CID 62636773
N'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
CID 62636047
3-(pent-4-ynylamino)butanenitrile
CID 103711258
4-[ethyl(methyl)amino]-2-methylbutanenitrile
CID 88586045
N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine
CID 60852501
N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852012
2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid
CID 64670148

Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(methyl)amino]ethylamino]butanenitrile?
The IUPAC name of 3-[2-[ethyl(methyl)amino]ethylamino]butanenitrile (CID 62641386) is 3-[2-[ethyl(methyl)amino]ethylamino]butanenitrile.
What is the SMILES notation for 3-[2-[ethyl(methyl)amino]ethylamino]butanenitrile?
The canonical SMILES for 3-[2-[ethyl(methyl)amino]ethylamino]butanenitrile is CCN(C)CCNC(C)CC#N.
What is the InChIKey of 3-[2-[ethyl(methyl)amino]ethylamino]butanenitrile?
The InChIKey is NFGMDXBVWZUVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-4-12(3)8-7-11-9(2)5-6-10/h9,11H,4-5,7-8H2,1-3H3.
What are the key properties of 3-[2-[ethyl(methyl)amino]ethylamino]butanenitrile?
3-[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 3-[2-[ethyl(methyl)amino]ethylamino]butanenitrile is sourced from PubChem (CID 62641386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).