1-(diaminomethylidene)-2-(2-methylpropyl)guanidine

C6H15N5 — CID 13548

IUPAC1-(diaminomethylidene)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)N=C(N)N
InChIInChI=1S/C6H15N5/c1-4(2)3-10-6(9)11-5(7)8/h4H,3H2,1-2H3,(H6,7,8,9,10,11)
InChIKeyMEJDQAVLXWMLHL-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.77
Rot. Bonds2

About 1-(diaminomethylidene)-2-(2-methylpropyl)guanidine

1-(diaminomethylidene)-2-(2-methylpropyl)guanidine (PubChem CID 13548) has the molecular formula C6H15N5 and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2-methylpropyl)guanidine
PubChem CID13548
Molecular FormulaC6H15N5
Molecular Weight157.22 g/mol
Exact Mass157.13
IUPAC Name1-(diaminomethylidene)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)N=C(N)N
InChIInChI=1S/C6H15N5/c1-4(2)3-10-6(9)11-5(7)8/h4H,3H2,1-2H3,(H6,7,8,9,10,11)
InChIKeyMEJDQAVLXWMLHL-UHFFFAOYSA-N
XLogP-0.77
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(2-methylpropyl)guanidine (CID 13548) is 1-(diaminomethylidene)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-(2-methylpropyl)guanidine?
The InChIKey is MEJDQAVLXWMLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5/c1-4(2)3-10-6(9)11-5(7)8/h4H,3H2,1-2H3,(H6,7,8,9,10,11).
What are the key properties of 1-(diaminomethylidene)-2-(2-methylpropyl)guanidine?
1-(diaminomethylidene)-2-(2-methylpropyl)guanidine has a molecular weight of 157.22 g/mol, XLogP of -0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 13548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).