1-(ethylideneamino)-1-methylguanidine;hydrochloride

C4H11ClN4 — CID 129017623

IUPAC1-(ethylideneamino)-1-methylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(C)N=CC
InChIInChI=1S/C4H10N4.ClH/c1-3-7-8(2)4(5)6;/h3H,1-2H3,(H3,5,6);1H
InChIKeyFDHRSTUOUKUQOL-UHFFFAOYSA-N
MW150.61 g/mol
LogP0.24
Rot. Bonds1

About 1-(ethylideneamino)-1-methylguanidine;hydrochloride

1-(ethylideneamino)-1-methylguanidine;hydrochloride (PubChem CID 129017623) has the molecular formula C4H11ClN4 and a molecular weight of 150.61 g/mol. Its IUPAC name is 1-(ethylideneamino)-1-methylguanidine;hydrochloride.

Molecular Properties

Compound Name1-(ethylideneamino)-1-methylguanidine;hydrochloride
PubChem CID129017623
Molecular FormulaC4H11ClN4
Molecular Weight150.61 g/mol
Exact Mass150.07
IUPAC Name1-(ethylideneamino)-1-methylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(C)N=CC
InChIInChI=1S/C4H10N4.ClH/c1-3-7-8(2)4(5)6;/h3H,1-2H3,(H3,5,6);1H
InChIKeyFDHRSTUOUKUQOL-UHFFFAOYSA-N
XLogP0.24
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 1-(ethylideneamino)-1-methylguanidine;hydrochloride?
The IUPAC name of 1-(ethylideneamino)-1-methylguanidine;hydrochloride (CID 129017623) is 1-(ethylideneamino)-1-methylguanidine;hydrochloride.
What is the SMILES notation for 1-(ethylideneamino)-1-methylguanidine;hydrochloride?
The canonical SMILES for 1-(ethylideneamino)-1-methylguanidine;hydrochloride is Cl.[H]/N=C(\N)N(C)N=CC.
What is the InChIKey of 1-(ethylideneamino)-1-methylguanidine;hydrochloride?
The InChIKey is FDHRSTUOUKUQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4.ClH/c1-3-7-8(2)4(5)6;/h3H,1-2H3,(H3,5,6);1H.
What are the key properties of 1-(ethylideneamino)-1-methylguanidine;hydrochloride?
1-(ethylideneamino)-1-methylguanidine;hydrochloride has a molecular weight of 150.61 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylideneamino)-1-methylguanidine;hydrochloride is sourced from PubChem (CID 129017623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).