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

C10H21N3O — CID 62842933

IUPAC3-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanenitrile
SMILESCOCCN(C)CCNC(C)CC#N
InChIInChI=1S/C10H21N3O/c1-10(4-5-11)12-6-7-13(2)8-9-14-3/h10,12H,4,6-9H2,1-3H3
InChIKeyDKRISFXCNVJODW-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.46
Rot. Bonds8

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

3-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanenitrile (PubChem CID 62842933) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanenitrile.

Molecular Properties

Compound Name3-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanenitrile
PubChem CID62842933
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanenitrile
SMILESCOCCN(C)CCNC(C)CC#N
InChIInChI=1S/C10H21N3O/c1-10(4-5-11)12-6-7-13(2)8-9-14-3/h10,12H,4,6-9H2,1-3H3
InChIKeyDKRISFXCNVJODW-UHFFFAOYSA-N
XLogP0.46
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[ethyl(methyl)amino]ethylamino]butanenitrile
CID 62641386
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile
CID 62843290
N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103910607
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62448029
2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid
CID 103249699
N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80695332
N-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 115716338
N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62448411
N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine
CID 115709397
N'-(2-methoxyethyl)-N'-methyl-N-(2-methyl-1-phenylpropyl)ethane-1,2-diamine
CID 62843081
N'-(2-methoxyethyl)-N'-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethane-1,2-diamine
CID 62844651
4-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethyl]phenol
CID 55126811

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanenitrile?
The IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanenitrile (CID 62842933) is 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanenitrile.
What is the SMILES notation for 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanenitrile?
The canonical SMILES for 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanenitrile is COCCN(C)CCNC(C)CC#N.
What is the InChIKey of 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanenitrile?
The InChIKey is DKRISFXCNVJODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(4-5-11)12-6-7-13(2)8-9-14-3/h10,12H,4,6-9H2,1-3H3.
What are the key properties of 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanenitrile?
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanenitrile has a molecular weight of 199.30 g/mol, XLogP of 0.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanenitrile is sourced from PubChem (CID 62842933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).