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

C10H20N2O — CID 62228490

IUPAC2-[5-hydroxypentyl(propyl)amino]acetonitrile
SMILESCCCN(CC#N)CCCCCO
InChIInChI=1S/C10H20N2O/c1-2-7-12(9-6-11)8-4-3-5-10-13/h13H,2-5,7-10H2,1H3
InChIKeyKZNZSHYUXRPNOR-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.38
Rot. Bonds8

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

2-[5-hydroxypentyl(propyl)amino]acetonitrile (PubChem CID 62228490) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[5-hydroxypentyl(propyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[5-hydroxypentyl(propyl)amino]acetonitrile
PubChem CID62228490
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-[5-hydroxypentyl(propyl)amino]acetonitrile
SMILESCCCN(CC#N)CCCCCO
InChIInChI=1S/C10H20N2O/c1-2-7-12(9-6-11)8-4-3-5-10-13/h13H,2-5,7-10H2,1H3
InChIKeyKZNZSHYUXRPNOR-UHFFFAOYSA-N
XLogP1.38
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.38
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(propyl)amino]acetonitrile?
The IUPAC name of 2-[5-hydroxypentyl(propyl)amino]acetonitrile (CID 62228490) is 2-[5-hydroxypentyl(propyl)amino]acetonitrile.
What is the SMILES notation for 2-[5-hydroxypentyl(propyl)amino]acetonitrile?
The canonical SMILES for 2-[5-hydroxypentyl(propyl)amino]acetonitrile is CCCN(CC#N)CCCCCO.
What is the InChIKey of 2-[5-hydroxypentyl(propyl)amino]acetonitrile?
The InChIKey is KZNZSHYUXRPNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-7-12(9-6-11)8-4-3-5-10-13/h13H,2-5,7-10H2,1H3.
What are the key properties of 2-[5-hydroxypentyl(propyl)amino]acetonitrile?
2-[5-hydroxypentyl(propyl)amino]acetonitrile has a molecular weight of 184.28 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxypentyl(propyl)amino]acetonitrile is sourced from PubChem (CID 62228490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).