2-(3-azidopropylamino)-2-ethylhexanenitrile

C11H21N5 — CID 66189690

IUPAC2-(3-azidopropylamino)-2-ethylhexanenitrile
SMILESCCCCC(C#N)(CC)NCCCN=[N+]=[N-]
InChIInChI=1S/C11H21N5/c1-3-5-7-11(4-2,10-12)14-8-6-9-15-16-13/h14H,3-9H2,1-2H3
InChIKeyXMAQHBHAYFMVMT-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.14
Rot. Bonds9

About 2-(3-azidopropylamino)-2-ethylhexanenitrile

2-(3-azidopropylamino)-2-ethylhexanenitrile (PubChem CID 66189690) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-2-ethylhexanenitrile.

Molecular Properties

Compound Name2-(3-azidopropylamino)-2-ethylhexanenitrile
PubChem CID66189690
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name2-(3-azidopropylamino)-2-ethylhexanenitrile
SMILESCCCCC(C#N)(CC)NCCCN=[N+]=[N-]
InChIInChI=1S/C11H21N5/c1-3-5-7-11(4-2,10-12)14-8-6-9-15-16-13/h14H,3-9H2,1-2H3
InChIKeyXMAQHBHAYFMVMT-UHFFFAOYSA-N
XLogP3.14
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(3-azidopropylamino)-2-ethylhexanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-azidopropylamino)-2-methylheptanenitrile
CID 80557277
2-ethyl-2-(3-hydroxypropylamino)hexanenitrile
CID 63952049
2-(3-azidopropylamino)-2-benzylbutanenitrile
CID 79027129
2-ethyl-5-heptoxy-2-(propylamino)pentanenitrile
CID 106804327
2-ethyl-5-octoxy-2-(propylamino)pentanenitrile
CID 106804306
2-ethyl-5-(2-hydroxyethylsulfanyl)-2-(propylamino)pentanenitrile
CID 106805061
2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile
CID 106804355
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803221
1-azidobutane
CID 4563922
2-(3-azidopropylamino)-2-cyclopentylpropanenitrile
CID 66188885
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(propylamino)pentanenitrile
CID 106804978
2-propyl-2-(propylamino)pentanenitrile
CID 28900772

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-2-ethylhexanenitrile?
The IUPAC name of 2-(3-azidopropylamino)-2-ethylhexanenitrile (CID 66189690) is 2-(3-azidopropylamino)-2-ethylhexanenitrile.
What is the SMILES notation for 2-(3-azidopropylamino)-2-ethylhexanenitrile?
The canonical SMILES for 2-(3-azidopropylamino)-2-ethylhexanenitrile is CCCCC(C#N)(CC)NCCCN=[N+]=[N-].
What is the InChIKey of 2-(3-azidopropylamino)-2-ethylhexanenitrile?
The InChIKey is XMAQHBHAYFMVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-3-5-7-11(4-2,10-12)14-8-6-9-15-16-13/h14H,3-9H2,1-2H3.
What are the key properties of 2-(3-azidopropylamino)-2-ethylhexanenitrile?
2-(3-azidopropylamino)-2-ethylhexanenitrile has a molecular weight of 223.32 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)-2-ethylhexanenitrile is sourced from PubChem (CID 66189690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).