5-[ethyl(3-hydroxypropyl)amino]pentanenitrile

C10H20N2O — CID 115666448

IUPAC5-[ethyl(3-hydroxypropyl)amino]pentanenitrile
SMILESCCN(CCCO)CCCCC#N
InChIInChI=1S/C10H20N2O/c1-2-12(9-6-10-13)8-5-3-4-7-11/h13H,2-6,8-10H2,1H3
InChIKeyWRLOAEXBLYQBNX-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.38
Rot. Bonds8

About 5-[ethyl(3-hydroxypropyl)amino]pentanenitrile

5-[ethyl(3-hydroxypropyl)amino]pentanenitrile (PubChem CID 115666448) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-[ethyl(3-hydroxypropyl)amino]pentanenitrile.

Molecular Properties

Compound Name5-[ethyl(3-hydroxypropyl)amino]pentanenitrile
PubChem CID115666448
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name5-[ethyl(3-hydroxypropyl)amino]pentanenitrile
SMILESCCN(CCCO)CCCCC#N
InChIInChI=1S/C10H20N2O/c1-2-12(9-6-10-13)8-5-3-4-7-11/h13H,2-6,8-10H2,1H3
InChIKeyWRLOAEXBLYQBNX-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'}

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Related Compounds

7-(diethylamino)heptanenitrile
CID 3857194
ethane;5-hydroxypentanenitrile
CID 144859936
3-[ethyl(hexadecyl)amino]propan-1-ol
CID 138077517
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459
16-(dihexadecylamino)hexadecanenitrile
CID 139661963
5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile
CID 115672467
4-[2-ethoxyethyl(ethyl)amino]butanenitrile
CID 63697379
5-[4-cyanobutyl-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]pentanenitrile
CID 88853553
4-[ethyl(2-methylpropyl)amino]butan-1-ol
CID 43509665
4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075
3-[3-(diethylamino)propyl-methylamino]propan-1-ol
CID 12721796

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(3-hydroxypropyl)amino]pentanenitrile?
The IUPAC name of 5-[ethyl(3-hydroxypropyl)amino]pentanenitrile (CID 115666448) is 5-[ethyl(3-hydroxypropyl)amino]pentanenitrile.
What is the SMILES notation for 5-[ethyl(3-hydroxypropyl)amino]pentanenitrile?
The canonical SMILES for 5-[ethyl(3-hydroxypropyl)amino]pentanenitrile is CCN(CCCO)CCCCC#N.
What is the InChIKey of 5-[ethyl(3-hydroxypropyl)amino]pentanenitrile?
The InChIKey is WRLOAEXBLYQBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-12(9-6-10-13)8-5-3-4-7-11/h13H,2-6,8-10H2,1H3.
What are the key properties of 5-[ethyl(3-hydroxypropyl)amino]pentanenitrile?
5-[ethyl(3-hydroxypropyl)amino]pentanenitrile 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 5-[ethyl(3-hydroxypropyl)amino]pentanenitrile is sourced from PubChem (CID 115666448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).