1-(ethyliminomethylideneamino)-N-methylpropan-1-amine;hydrochloride

C7H16ClN3 — CID 87886193

IUPAC1-(ethyliminomethylideneamino)-N-methylpropan-1-amine;hydrochloride
SMILESCCN=C=NC(CC)NC.Cl
InChIInChI=1S/C7H15N3.ClH/c1-4-7(8-3)10-6-9-5-2;/h7-8H,4-5H2,1-3H3;1H
InChIKeyOXTBICUTUJLNIC-UHFFFAOYSA-N
MW177.68 g/mol
LogP1.56
Rot. Bonds4

About 1-(ethyliminomethylideneamino)-N-methylpropan-1-amine;hydrochloride

1-(ethyliminomethylideneamino)-N-methylpropan-1-amine;hydrochloride (PubChem CID 87886193) has the molecular formula C7H16ClN3 and a molecular weight of 177.68 g/mol. Its IUPAC name is 1-(ethyliminomethylideneamino)-N-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(ethyliminomethylideneamino)-N-methylpropan-1-amine;hydrochloride
PubChem CID87886193
Molecular FormulaC7H16ClN3
Molecular Weight177.68 g/mol
Exact Mass177.10
IUPAC Name1-(ethyliminomethylideneamino)-N-methylpropan-1-amine;hydrochloride
SMILESCCN=C=NC(CC)NC.Cl
InChIInChI=1S/C7H15N3.ClH/c1-4-7(8-3)10-6-9-5-2;/h7-8H,4-5H2,1-3H3;1H
InChIKeyOXTBICUTUJLNIC-UHFFFAOYSA-N
XLogP1.56
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.68
LogP ≤ 51.56
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 1-(ethyliminomethylideneamino)-N-methylpropan-1-amine;hydrochloride?
The IUPAC name of 1-(ethyliminomethylideneamino)-N-methylpropan-1-amine;hydrochloride (CID 87886193) is 1-(ethyliminomethylideneamino)-N-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for 1-(ethyliminomethylideneamino)-N-methylpropan-1-amine;hydrochloride?
The canonical SMILES for 1-(ethyliminomethylideneamino)-N-methylpropan-1-amine;hydrochloride is CCN=C=NC(CC)NC.Cl.
What is the InChIKey of 1-(ethyliminomethylideneamino)-N-methylpropan-1-amine;hydrochloride?
The InChIKey is OXTBICUTUJLNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3.ClH/c1-4-7(8-3)10-6-9-5-2;/h7-8H,4-5H2,1-3H3;1H.
What are the key properties of 1-(ethyliminomethylideneamino)-N-methylpropan-1-amine;hydrochloride?
1-(ethyliminomethylideneamino)-N-methylpropan-1-amine;hydrochloride has a molecular weight of 177.68 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyliminomethylideneamino)-N-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 87886193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).