3-[2-(2-hydroxyethoxy)ethylamino]butanenitrile

C8H16N2O2 — CID 62499588

IUPAC3-[2-(2-hydroxyethoxy)ethylamino]butanenitrile
SMILESCC(CC#N)NCCOCCO
InChIInChI=1S/C8H16N2O2/c1-8(2-3-9)10-4-6-12-7-5-11/h8,10-11H,2,4-7H2,1H3
InChIKeyAFDYMDOTCJCSND-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.11
Rot. Bonds7

About 3-[2-(2-hydroxyethoxy)ethylamino]butanenitrile

3-[2-(2-hydroxyethoxy)ethylamino]butanenitrile (PubChem CID 62499588) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethoxy)ethylamino]butanenitrile.

Molecular Properties

Compound Name3-[2-(2-hydroxyethoxy)ethylamino]butanenitrile
PubChem CID62499588
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-[2-(2-hydroxyethoxy)ethylamino]butanenitrile
SMILESCC(CC#N)NCCOCCO
InChIInChI=1S/C8H16N2O2/c1-8(2-3-9)10-4-6-12-7-5-11/h8,10-11H,2,4-7H2,1H3
InChIKeyAFDYMDOTCJCSND-UHFFFAOYSA-N
XLogP-0.11
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-aminopropan-2-ylamino)ethoxy]ethanol
CID 103387646
2-[2-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol
CID 28728057
2-[2-[[(2S)-octan-2-yl]amino]ethoxy]ethanol
CID 29007498
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol
CID 28728055
N-(2-propoxyethyl)pent-4-yn-2-amine
CID 106452525
2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol
CID 82257190
3-(butylamino)butanenitrile
CID 60915360
2-[2-(heptan-4-ylamino)ethoxy]ethanol
CID 28727805
2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol
CID 43508806
2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylpropanamide
CID 60672617
2-[2-(2-hydroxyethoxy)ethylamino]-N-propan-2-ylpropanamide
CID 60654173
N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide
CID 77029466

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethoxy)ethylamino]butanenitrile?
The IUPAC name of 3-[2-(2-hydroxyethoxy)ethylamino]butanenitrile (CID 62499588) is 3-[2-(2-hydroxyethoxy)ethylamino]butanenitrile.
What is the SMILES notation for 3-[2-(2-hydroxyethoxy)ethylamino]butanenitrile?
The canonical SMILES for 3-[2-(2-hydroxyethoxy)ethylamino]butanenitrile is CC(CC#N)NCCOCCO.
What is the InChIKey of 3-[2-(2-hydroxyethoxy)ethylamino]butanenitrile?
The InChIKey is AFDYMDOTCJCSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(2-3-9)10-4-6-12-7-5-11/h8,10-11H,2,4-7H2,1H3.
What are the key properties of 3-[2-(2-hydroxyethoxy)ethylamino]butanenitrile?
3-[2-(2-hydroxyethoxy)ethylamino]butanenitrile has a molecular weight of 172.23 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethoxy)ethylamino]butanenitrile is sourced from PubChem (CID 62499588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).