3-(ethyliminomethylideneamino)propane-1,1-diamine;hydrochloride

C6H15ClN4 — CID 18469126

IUPAC3-(ethyliminomethylideneamino)propane-1,1-diamine;hydrochloride
SMILESCCN=C=NCCC(N)N.Cl
InChIInChI=1S/C6H14N4.ClH/c1-2-9-5-10-4-3-6(7)8;/h6H,2-4,7-8H2,1H3;1H
InChIKeyNRPDUOGUSNRDQT-UHFFFAOYSA-N
MW178.67 g/mol
LogP0.24
Rot. Bonds4

About 3-(ethyliminomethylideneamino)propane-1,1-diamine;hydrochloride

3-(ethyliminomethylideneamino)propane-1,1-diamine;hydrochloride (PubChem CID 18469126) has the molecular formula C6H15ClN4 and a molecular weight of 178.67 g/mol. Its IUPAC name is 3-(ethyliminomethylideneamino)propane-1,1-diamine;hydrochloride.

Molecular Properties

Compound Name3-(ethyliminomethylideneamino)propane-1,1-diamine;hydrochloride
PubChem CID18469126
Molecular FormulaC6H15ClN4
Molecular Weight178.67 g/mol
Exact Mass178.10
IUPAC Name3-(ethyliminomethylideneamino)propane-1,1-diamine;hydrochloride
SMILESCCN=C=NCCC(N)N.Cl
InChIInChI=1S/C6H14N4.ClH/c1-2-9-5-10-4-3-6(7)8;/h6H,2-4,7-8H2,1H3;1H
InChIKeyNRPDUOGUSNRDQT-UHFFFAOYSA-N
XLogP0.24
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.67
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethyliminomethylideneamino)propane-1,1-diamine;hydrochloride?
The IUPAC name of 3-(ethyliminomethylideneamino)propane-1,1-diamine;hydrochloride (CID 18469126) is 3-(ethyliminomethylideneamino)propane-1,1-diamine;hydrochloride.
What is the SMILES notation for 3-(ethyliminomethylideneamino)propane-1,1-diamine;hydrochloride?
The canonical SMILES for 3-(ethyliminomethylideneamino)propane-1,1-diamine;hydrochloride is CCN=C=NCCC(N)N.Cl.
What is the InChIKey of 3-(ethyliminomethylideneamino)propane-1,1-diamine;hydrochloride?
The InChIKey is NRPDUOGUSNRDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4.ClH/c1-2-9-5-10-4-3-6(7)8;/h6H,2-4,7-8H2,1H3;1H.
What are the key properties of 3-(ethyliminomethylideneamino)propane-1,1-diamine;hydrochloride?
3-(ethyliminomethylideneamino)propane-1,1-diamine;hydrochloride has a molecular weight of 178.67 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethyliminomethylideneamino)propane-1,1-diamine;hydrochloride is sourced from PubChem (CID 18469126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).