3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride

C8H18ClN3 — CID 2723939

IUPAC3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCCN=C=NCCCN(C)C.Cl
InChIInChI=1S/C8H17N3.ClH/c1-4-9-8-10-6-5-7-11(2)3;/h4-7H2,1-3H3;1H
InChIKeyFPQQSJJWHUJYPU-UHFFFAOYSA-N
MW191.71 g/mol
LogP1.55
Rot. Bonds5

About 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride

3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 2723939) has the molecular formula C8H18ClN3 and a molecular weight of 191.71 g/mol. Its IUPAC name is 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID2723939
Molecular FormulaC8H18ClN3
Molecular Weight191.71 g/mol
Exact Mass191.12
IUPAC Name3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCCN=C=NCCCN(C)C.Cl
InChIInChI=1S/C8H17N3.ClH/c1-4-9-8-10-6-5-7-11(2)3;/h4-7H2,1-3H3;1H
InChIKeyFPQQSJJWHUJYPU-UHFFFAOYSA-N
XLogP1.55
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.71
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride (CID 2723939) is 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride is CCN=C=NCCCN(C)C.Cl.
What is the InChIKey of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is FPQQSJJWHUJYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.ClH/c1-4-9-8-10-6-5-7-11(2)3;/h4-7H2,1-3H3;1H.
What are the key properties of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 191.71 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 2723939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).