2-N-(ethyliminomethylideneamino)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride

C8H19ClN4 — CID 176524246

IUPAC2-N-(ethyliminomethylideneamino)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
SMILESCCN=C=NNC(C)CN(C)C.Cl
InChIInChI=1S/C8H18N4.ClH/c1-5-9-7-10-11-8(2)6-12(3)4;/h8,11H,5-6H2,1-4H3;1H
InChIKeyVTRHWQRDEWVTDR-UHFFFAOYSA-N
MW206.72 g/mol
LogP1.06
Rot. Bonds5

About 2-N-(ethyliminomethylideneamino)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride

2-N-(ethyliminomethylideneamino)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride (PubChem CID 176524246) has the molecular formula C8H19ClN4 and a molecular weight of 206.72 g/mol. Its IUPAC name is 2-N-(ethyliminomethylideneamino)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(ethyliminomethylideneamino)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
PubChem CID176524246
Molecular FormulaC8H19ClN4
Molecular Weight206.72 g/mol
Exact Mass206.13
IUPAC Name2-N-(ethyliminomethylideneamino)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
SMILESCCN=C=NNC(C)CN(C)C.Cl
InChIInChI=1S/C8H18N4.ClH/c1-5-9-7-10-11-8(2)6-12(3)4;/h8,11H,5-6H2,1-4H3;1H
InChIKeyVTRHWQRDEWVTDR-UHFFFAOYSA-N
XLogP1.06
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(ethyliminomethylideneamino)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride?
The IUPAC name of 2-N-(ethyliminomethylideneamino)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride (CID 176524246) is 2-N-(ethyliminomethylideneamino)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-N-(ethyliminomethylideneamino)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-N-(ethyliminomethylideneamino)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride is CCN=C=NNC(C)CN(C)C.Cl.
What is the InChIKey of 2-N-(ethyliminomethylideneamino)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride?
The InChIKey is VTRHWQRDEWVTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4.ClH/c1-5-9-7-10-11-8(2)6-12(3)4;/h8,11H,5-6H2,1-4H3;1H.
What are the key properties of 2-N-(ethyliminomethylideneamino)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride?
2-N-(ethyliminomethylideneamino)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(ethyliminomethylideneamino)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride is sourced from PubChem (CID 176524246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).