N'-propylmethanediimine;hydrochloride

C4H9ClN2 — CID 18621663

IUPACN'-propylmethanediimine;hydrochloride
SMILESCCCN=C=N.Cl
InChIInChI=1S/C4H8N2.ClH/c1-2-3-6-4-5;/h5H,2-3H2,1H3;1H
InChIKeyQJITUZDKRABEGK-UHFFFAOYSA-N
MW120.58 g/mol
LogP1.57
Rot. Bonds2

About N'-propylmethanediimine;hydrochloride

N'-propylmethanediimine;hydrochloride (PubChem CID 18621663) has the molecular formula C4H9ClN2 and a molecular weight of 120.58 g/mol. Its IUPAC name is N'-propylmethanediimine;hydrochloride.

Molecular Properties

Compound NameN'-propylmethanediimine;hydrochloride
PubChem CID18621663
Molecular FormulaC4H9ClN2
Molecular Weight120.58 g/mol
Exact Mass120.05
IUPAC NameN'-propylmethanediimine;hydrochloride
SMILESCCCN=C=N.Cl
InChIInChI=1S/C4H8N2.ClH/c1-2-3-6-4-5;/h5H,2-3H2,1H3;1H
InChIKeyQJITUZDKRABEGK-UHFFFAOYSA-N
XLogP1.57
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-propylmethanediimine;hydrochloride?
The IUPAC name of N'-propylmethanediimine;hydrochloride (CID 18621663) is N'-propylmethanediimine;hydrochloride.
What is the SMILES notation for N'-propylmethanediimine;hydrochloride?
The canonical SMILES for N'-propylmethanediimine;hydrochloride is CCCN=C=N.Cl.
What is the InChIKey of N'-propylmethanediimine;hydrochloride?
The InChIKey is QJITUZDKRABEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2.ClH/c1-2-3-6-4-5;/h5H,2-3H2,1H3;1H.
What are the key properties of N'-propylmethanediimine;hydrochloride?
N'-propylmethanediimine;hydrochloride has a molecular weight of 120.58 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propylmethanediimine;hydrochloride is sourced from PubChem (CID 18621663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).