N,N-dimethylethanamine;N'-propylmethanediimine;hydrochloride

C8H20ClN3 — CID 87174053

IUPACN,N-dimethylethanamine;N'-propylmethanediimine;hydrochloride
SMILESCCCN=C=N.CCN(C)C.Cl
InChIInChI=1S/C4H8N2.C4H11N.ClH/c1-2-3-6-4-5;1-4-5(2)3;/h5H,2-3H2,1H3;4H2,1-3H3;1H
InChIKeyAPHMUYKJZJYTDY-UHFFFAOYSA-N
MW193.72 g/mol
LogP2.14
Rot. Bonds3

About N,N-dimethylethanamine;N'-propylmethanediimine;hydrochloride

N,N-dimethylethanamine;N'-propylmethanediimine;hydrochloride (PubChem CID 87174053) has the molecular formula C8H20ClN3 and a molecular weight of 193.72 g/mol. Its IUPAC name is N,N-dimethylethanamine;N'-propylmethanediimine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylethanamine;N'-propylmethanediimine;hydrochloride
PubChem CID87174053
Molecular FormulaC8H20ClN3
Molecular Weight193.72 g/mol
Exact Mass193.13
IUPAC NameN,N-dimethylethanamine;N'-propylmethanediimine;hydrochloride
SMILESCCCN=C=N.CCN(C)C.Cl
InChIInChI=1S/C4H8N2.C4H11N.ClH/c1-2-3-6-4-5;1-4-5(2)3;/h5H,2-3H2,1H3;4H2,1-3H3;1H
InChIKeyAPHMUYKJZJYTDY-UHFFFAOYSA-N
XLogP2.14
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,N-dimethylethanamine;N'-propylmethanediimine;hydrochloride?
The IUPAC name of N,N-dimethylethanamine;N'-propylmethanediimine;hydrochloride (CID 87174053) is N,N-dimethylethanamine;N'-propylmethanediimine;hydrochloride.
What is the SMILES notation for N,N-dimethylethanamine;N'-propylmethanediimine;hydrochloride?
The canonical SMILES for N,N-dimethylethanamine;N'-propylmethanediimine;hydrochloride is CCCN=C=N.CCN(C)C.Cl.
What is the InChIKey of N,N-dimethylethanamine;N'-propylmethanediimine;hydrochloride?
The InChIKey is APHMUYKJZJYTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2.C4H11N.ClH/c1-2-3-6-4-5;1-4-5(2)3;/h5H,2-3H2,1H3;4H2,1-3H3;1H.
What are the key properties of N,N-dimethylethanamine;N'-propylmethanediimine;hydrochloride?
N,N-dimethylethanamine;N'-propylmethanediimine;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;N'-propylmethanediimine;hydrochloride is sourced from PubChem (CID 87174053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).