3-(2-propylhydrazinyl)propanenitrile

C6H13N3 — CID 88816637

IUPAC3-(2-propylhydrazinyl)propanenitrile
SMILESCCCNNCCC#N
InChIInChI=1S/C6H13N3/c1-2-5-8-9-6-3-4-7/h8-9H,2-3,5-6H2,1H3
InChIKeyQJFVTEPVALRBRX-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.40
Rot. Bonds5

About 3-(2-propylhydrazinyl)propanenitrile

3-(2-propylhydrazinyl)propanenitrile (PubChem CID 88816637) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-(2-propylhydrazinyl)propanenitrile.

Molecular Properties

Compound Name3-(2-propylhydrazinyl)propanenitrile
PubChem CID88816637
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name3-(2-propylhydrazinyl)propanenitrile
SMILESCCCNNCCC#N
InChIInChI=1S/C6H13N3/c1-2-5-8-9-6-3-4-7/h8-9H,2-3,5-6H2,1H3
InChIKeyQJFVTEPVALRBRX-UHFFFAOYSA-N
XLogP0.40
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-cyanoethylamino)propanenitrile
CID 160846337
butanenitrile;ethane
CID 91457061
alumane;butanenitrile
CID 174728323
3-(2,2-diethylhydrazinyl)propanenitrile
CID 172788770
2-(propylamino)acetonitrile;hydrochloride
CID 22259889
N-(2-cyanoethyl)butanamide
CID 14899794
4-(octylamino)butanenitrile
CID 78914352
3-(octan-4-ylamino)propanenitrile
CID 107168012
1-(2-cyanoethyl)-3-ethylurea
CID 60971056
3-[[(E)-hept-1-enyl]amino]propanenitrile
CID 101282817
octadecanenitrile
CID 12532
butane;3-fluoropropanenitrile
CID 176659815

Frequently Asked Questions

What is the IUPAC name of 3-(2-propylhydrazinyl)propanenitrile?
The IUPAC name of 3-(2-propylhydrazinyl)propanenitrile (CID 88816637) is 3-(2-propylhydrazinyl)propanenitrile.
What is the SMILES notation for 3-(2-propylhydrazinyl)propanenitrile?
The canonical SMILES for 3-(2-propylhydrazinyl)propanenitrile is CCCNNCCC#N.
What is the InChIKey of 3-(2-propylhydrazinyl)propanenitrile?
The InChIKey is QJFVTEPVALRBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-2-5-8-9-6-3-4-7/h8-9H,2-3,5-6H2,1H3.
What are the key properties of 3-(2-propylhydrazinyl)propanenitrile?
3-(2-propylhydrazinyl)propanenitrile has a molecular weight of 127.19 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylhydrazinyl)propanenitrile is sourced from PubChem (CID 88816637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).