2-[5-hydroxypentyl(methyl)amino]acetonitrile

C8H16N2O — CID 20745764

IUPAC2-[5-hydroxypentyl(methyl)amino]acetonitrile
SMILESCN(CC#N)CCCCCO
InChIInChI=1S/C8H16N2O/c1-10(7-5-9)6-3-2-4-8-11/h11H,2-4,6-8H2,1H3
InChIKeyVEXSGXZXNVWTED-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.60
Rot. Bonds6

About 2-[5-hydroxypentyl(methyl)amino]acetonitrile

2-[5-hydroxypentyl(methyl)amino]acetonitrile (PubChem CID 20745764) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-[5-hydroxypentyl(methyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[5-hydroxypentyl(methyl)amino]acetonitrile
PubChem CID20745764
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-[5-hydroxypentyl(methyl)amino]acetonitrile
SMILESCN(CC#N)CCCCCO
InChIInChI=1S/C8H16N2O/c1-10(7-5-9)6-3-2-4-8-11/h11H,2-4,6-8H2,1H3
InChIKeyVEXSGXZXNVWTED-UHFFFAOYSA-N
XLogP0.60
TPSA47.26 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 ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxypentyl(methyl)amino]acetonitrile?
The IUPAC name of 2-[5-hydroxypentyl(methyl)amino]acetonitrile (CID 20745764) is 2-[5-hydroxypentyl(methyl)amino]acetonitrile.
What is the SMILES notation for 2-[5-hydroxypentyl(methyl)amino]acetonitrile?
The canonical SMILES for 2-[5-hydroxypentyl(methyl)amino]acetonitrile is CN(CC#N)CCCCCO.
What is the InChIKey of 2-[5-hydroxypentyl(methyl)amino]acetonitrile?
The InChIKey is VEXSGXZXNVWTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10(7-5-9)6-3-2-4-8-11/h11H,2-4,6-8H2,1H3.
What are the key properties of 2-[5-hydroxypentyl(methyl)amino]acetonitrile?
2-[5-hydroxypentyl(methyl)amino]acetonitrile has a molecular weight of 156.23 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxypentyl(methyl)amino]acetonitrile is sourced from PubChem (CID 20745764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).