2-[(E)-(5-methyl-2-propan-2-ylhex-4-enylidene)amino]guanidine;hydrochloride

C11H23ClN4 — CID 54611947

IUPAC2-[(E)-(5-methyl-2-propan-2-ylhex-4-enylidene)amino]guanidine;hydrochloride
SMILESCC(C)=CCC(/C=N/N=C(N)N)C(C)C.Cl
InChIInChI=1S/C11H22N4.ClH/c1-8(2)5-6-10(9(3)4)7-14-15-11(12)13;/h5,7,9-10H,6H2,1-4H3,(H4,12,13,15);1H/b14-7+;
InChIKeyJCRXBWFETPUXCW-FJUODKGNSA-N
MW246.79 g/mol
LogP2.30
Rot. Bonds5

About 2-[(E)-(5-methyl-2-propan-2-ylhex-4-enylidene)amino]guanidine;hydrochloride

2-[(E)-(5-methyl-2-propan-2-ylhex-4-enylidene)amino]guanidine;hydrochloride (PubChem CID 54611947) has the molecular formula C11H23ClN4 and a molecular weight of 246.79 g/mol. Its IUPAC name is 2-[(E)-(5-methyl-2-propan-2-ylhex-4-enylidene)amino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-(5-methyl-2-propan-2-ylhex-4-enylidene)amino]guanidine;hydrochloride
PubChem CID54611947
Molecular FormulaC11H23ClN4
Molecular Weight246.79 g/mol
Exact Mass246.16
IUPAC Name2-[(E)-(5-methyl-2-propan-2-ylhex-4-enylidene)amino]guanidine;hydrochloride
SMILESCC(C)=CCC(/C=N/N=C(N)N)C(C)C.Cl
InChIInChI=1S/C11H22N4.ClH/c1-8(2)5-6-10(9(3)4)7-14-15-11(12)13;/h5,7,9-10H,6H2,1-4H3,(H4,12,13,15);1H/b14-7+;
InChIKeyJCRXBWFETPUXCW-FJUODKGNSA-N
XLogP2.30
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.79
LogP ≤ 52.30
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': 'isolated_alkene', '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-[(E)-(5-methyl-2-propan-2-ylhex-4-enylidene)amino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-(5-methyl-2-propan-2-ylhex-4-enylidene)amino]guanidine;hydrochloride (CID 54611947) is 2-[(E)-(5-methyl-2-propan-2-ylhex-4-enylidene)amino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-(5-methyl-2-propan-2-ylhex-4-enylidene)amino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-(5-methyl-2-propan-2-ylhex-4-enylidene)amino]guanidine;hydrochloride is CC(C)=CCC(/C=N/N=C(N)N)C(C)C.Cl.
What is the InChIKey of 2-[(E)-(5-methyl-2-propan-2-ylhex-4-enylidene)amino]guanidine;hydrochloride?
The InChIKey is JCRXBWFETPUXCW-FJUODKGNSA-N. The full InChI is InChI=1S/C11H22N4.ClH/c1-8(2)5-6-10(9(3)4)7-14-15-11(12)13;/h5,7,9-10H,6H2,1-4H3,(H4,12,13,15);1H/b14-7+;.
What are the key properties of 2-[(E)-(5-methyl-2-propan-2-ylhex-4-enylidene)amino]guanidine;hydrochloride?
2-[(E)-(5-methyl-2-propan-2-ylhex-4-enylidene)amino]guanidine;hydrochloride has a molecular weight of 246.79 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(5-methyl-2-propan-2-ylhex-4-enylidene)amino]guanidine;hydrochloride is sourced from PubChem (CID 54611947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).