2-(propylamino)acetonitrile;hydrochloride

C5H11ClN2 — CID 22259889

IUPAC2-(propylamino)acetonitrile;hydrochloride
SMILESCCCNCC#N.Cl
InChIInChI=1S/C5H10N2.ClH/c1-2-4-7-5-3-6;/h7H,2,4-5H2,1H3;1H
InChIKeyQZXLLUJCSXQRNV-UHFFFAOYSA-N
MW134.61 g/mol
LogP0.93
Rot. Bonds3

About 2-(propylamino)acetonitrile;hydrochloride

2-(propylamino)acetonitrile;hydrochloride (PubChem CID 22259889) has the molecular formula C5H11ClN2 and a molecular weight of 134.61 g/mol. Its IUPAC name is 2-(propylamino)acetonitrile;hydrochloride.

Molecular Properties

Compound Name2-(propylamino)acetonitrile;hydrochloride
PubChem CID22259889
Molecular FormulaC5H11ClN2
Molecular Weight134.61 g/mol
Exact Mass134.06
IUPAC Name2-(propylamino)acetonitrile;hydrochloride
SMILESCCCNCC#N.Cl
InChIInChI=1S/C5H10N2.ClH/c1-2-4-7-5-3-6;/h7H,2,4-5H2,1H3;1H
InChIKeyQZXLLUJCSXQRNV-UHFFFAOYSA-N
XLogP0.93
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dipropylamine
CID 8902
3,3'-Iminodipropionitrile
CID 8149
(Butylamino)acetonitrile
CID 76373
Propanenitrile, 3-(methylamino)-
CID 69656
N-Ethyl-1,3-propanediamine
CID 82727
3-[(Propan-2-yl)amino]propanenitrile
CID 136494
3-(Butylamino)propionitrile
CID 136495
3-(Ethylamino)propionitrile
CID 248961
3-(Propylamino)propanenitrile
CID 81663
1-Propanamine, N-ethyl-
CID 88398
Dipropylamine Hydrochloride
CID 12202988
2-(Propylamino)acetonitrile
CID 12510987

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)acetonitrile;hydrochloride?
The IUPAC name of 2-(propylamino)acetonitrile;hydrochloride (CID 22259889) is 2-(propylamino)acetonitrile;hydrochloride.
What is the SMILES notation for 2-(propylamino)acetonitrile;hydrochloride?
The canonical SMILES for 2-(propylamino)acetonitrile;hydrochloride is CCCNCC#N.Cl.
What is the InChIKey of 2-(propylamino)acetonitrile;hydrochloride?
The InChIKey is QZXLLUJCSXQRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.ClH/c1-2-4-7-5-3-6;/h7H,2,4-5H2,1H3;1H.
What are the key properties of 2-(propylamino)acetonitrile;hydrochloride?
2-(propylamino)acetonitrile;hydrochloride has a molecular weight of 134.61 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)acetonitrile;hydrochloride is sourced from PubChem (CID 22259889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).