3-(2-methoxyethylamino)pentanenitrile

C8H16N2O — CID 43367995

IUPAC3-(2-methoxyethylamino)pentanenitrile
SMILESCCC(CC#N)NCCOC
InChIInChI=1S/C8H16N2O/c1-3-8(4-5-9)10-6-7-11-2/h8,10H,3-4,6-7H2,1-2H3
InChIKeyVNDBTQFHUFHHHY-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.91
Rot. Bonds6

About 3-(2-methoxyethylamino)pentanenitrile

3-(2-methoxyethylamino)pentanenitrile (PubChem CID 43367995) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-(2-methoxyethylamino)pentanenitrile.

Molecular Properties

Compound Name3-(2-methoxyethylamino)pentanenitrile
PubChem CID43367995
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-(2-methoxyethylamino)pentanenitrile
SMILESCCC(CC#N)NCCOC
InChIInChI=1S/C8H16N2O/c1-3-8(4-5-9)10-6-7-11-2/h8,10H,3-4,6-7H2,1-2H3
InChIKeyVNDBTQFHUFHHHY-UHFFFAOYSA-N
XLogP0.91
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-cyanobutan-2-yl)-3-(2-methoxyethyl)urea
CID 75458286
3-(4-propan-2-yloxybutylamino)pentanenitrile
CID 106010161
N-(1-cyanobutan-2-yl)-2-methoxyethanesulfonamide
CID 62647597
3-[3-(dimethylamino)propylamino]pentanenitrile
CID 43368688
3-(7-methyloctylamino)pentanenitrile
CID 107815048
2-(1-cyanobutan-2-ylamino)ethylurea
CID 83112708
3-(2,2,2-trifluoroethylamino)pentanenitrile
CID 43368798
3-(3-cyclopentylpropylamino)pentanenitrile
CID 106010678
N-(2-methoxyethyl)butan-2-amine
CID 43190188
2-[3-(2-methoxyethylamino)pentylamino]ethanol
CID 57030298
3-(2-methoxyethoxy)pentanenitrile
CID 43175037
3-(3-methylpentan-2-ylamino)pentanenitrile
CID 61463482

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylamino)pentanenitrile?
The IUPAC name of 3-(2-methoxyethylamino)pentanenitrile (CID 43367995) is 3-(2-methoxyethylamino)pentanenitrile.
What is the SMILES notation for 3-(2-methoxyethylamino)pentanenitrile?
The canonical SMILES for 3-(2-methoxyethylamino)pentanenitrile is CCC(CC#N)NCCOC.
What is the InChIKey of 3-(2-methoxyethylamino)pentanenitrile?
The InChIKey is VNDBTQFHUFHHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-8(4-5-9)10-6-7-11-2/h8,10H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(2-methoxyethylamino)pentanenitrile?
3-(2-methoxyethylamino)pentanenitrile has a molecular weight of 156.23 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylamino)pentanenitrile is sourced from PubChem (CID 43367995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).