2-[(Z)-3-methylbutan-2-ylideneamino]guanidine;hydrochloride

C6H15ClN4 — CID 54611780

IUPAC2-[(Z)-3-methylbutan-2-ylideneamino]guanidine;hydrochloride
SMILESC/C(=N/N=C(N)N)C(C)C.Cl
InChIInChI=1S/C6H14N4.ClH/c1-4(2)5(3)9-10-6(7)8;/h4H,1-3H3,(H4,7,8,10);1H/b9-5-;
InChIKeyKTFAUQGFMKYTNN-UYTGOYFPSA-N
MW178.67 g/mol
LogP0.71
Rot. Bonds2

About 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine;hydrochloride

2-[(Z)-3-methylbutan-2-ylideneamino]guanidine;hydrochloride (PubChem CID 54611780) has the molecular formula C6H15ClN4 and a molecular weight of 178.67 g/mol. Its IUPAC name is 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(Z)-3-methylbutan-2-ylideneamino]guanidine;hydrochloride
PubChem CID54611780
Molecular FormulaC6H15ClN4
Molecular Weight178.67 g/mol
Exact Mass178.10
IUPAC Name2-[(Z)-3-methylbutan-2-ylideneamino]guanidine;hydrochloride
SMILESC/C(=N/N=C(N)N)C(C)C.Cl
InChIInChI=1S/C6H14N4.ClH/c1-4(2)5(3)9-10-6(7)8;/h4H,1-3H3,(H4,7,8,10);1H/b9-5-;
InChIKeyKTFAUQGFMKYTNN-UYTGOYFPSA-N
XLogP0.71
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.67
LogP ≤ 50.71
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 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine;hydrochloride (CID 54611780) is 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine;hydrochloride is C/C(=N/N=C(N)N)C(C)C.Cl.
What is the InChIKey of 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine;hydrochloride?
The InChIKey is KTFAUQGFMKYTNN-UYTGOYFPSA-N. The full InChI is InChI=1S/C6H14N4.ClH/c1-4(2)5(3)9-10-6(7)8;/h4H,1-3H3,(H4,7,8,10);1H/b9-5-;.
What are the key properties of 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine;hydrochloride?
2-[(Z)-3-methylbutan-2-ylideneamino]guanidine;hydrochloride has a molecular weight of 178.67 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 54611780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).