1-(ethyliminomethylideneamino)-N,N'-dimethylpropane-1,3-diamine;hydrochloride

C8H19ClN4 — CID 23063872

IUPAC1-(ethyliminomethylideneamino)-N,N'-dimethylpropane-1,3-diamine;hydrochloride
SMILESCCN=C=NC(CCNC)NC.Cl
InChIInChI=1S/C8H18N4.ClH/c1-4-11-7-12-8(10-3)5-6-9-2;/h8-10H,4-6H2,1-3H3;1H
InChIKeyOLBMELGQHWGHTL-UHFFFAOYSA-N
MW206.72 g/mol
LogP0.76
Rot. Bonds6

About 1-(ethyliminomethylideneamino)-N,N'-dimethylpropane-1,3-diamine;hydrochloride

1-(ethyliminomethylideneamino)-N,N'-dimethylpropane-1,3-diamine;hydrochloride (PubChem CID 23063872) has the molecular formula C8H19ClN4 and a molecular weight of 206.72 g/mol. Its IUPAC name is 1-(ethyliminomethylideneamino)-N,N'-dimethylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name1-(ethyliminomethylideneamino)-N,N'-dimethylpropane-1,3-diamine;hydrochloride
PubChem CID23063872
Molecular FormulaC8H19ClN4
Molecular Weight206.72 g/mol
Exact Mass206.13
IUPAC Name1-(ethyliminomethylideneamino)-N,N'-dimethylpropane-1,3-diamine;hydrochloride
SMILESCCN=C=NC(CCNC)NC.Cl
InChIInChI=1S/C8H18N4.ClH/c1-4-11-7-12-8(10-3)5-6-9-2;/h8-10H,4-6H2,1-3H3;1H
InChIKeyOLBMELGQHWGHTL-UHFFFAOYSA-N
XLogP0.76
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-(ethyliminomethylideneamino)-N,N'-dimethylpropane-1,3-diamine;hydrochloride?
The IUPAC name of 1-(ethyliminomethylideneamino)-N,N'-dimethylpropane-1,3-diamine;hydrochloride (CID 23063872) is 1-(ethyliminomethylideneamino)-N,N'-dimethylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for 1-(ethyliminomethylideneamino)-N,N'-dimethylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for 1-(ethyliminomethylideneamino)-N,N'-dimethylpropane-1,3-diamine;hydrochloride is CCN=C=NC(CCNC)NC.Cl.
What is the InChIKey of 1-(ethyliminomethylideneamino)-N,N'-dimethylpropane-1,3-diamine;hydrochloride?
The InChIKey is OLBMELGQHWGHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4.ClH/c1-4-11-7-12-8(10-3)5-6-9-2;/h8-10H,4-6H2,1-3H3;1H.
What are the key properties of 1-(ethyliminomethylideneamino)-N,N'-dimethylpropane-1,3-diamine;hydrochloride?
1-(ethyliminomethylideneamino)-N,N'-dimethylpropane-1,3-diamine;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyliminomethylideneamino)-N,N'-dimethylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 23063872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).