1-(diaminomethylidene)-2-(3-methylbutan-2-yl)guanidine

C7H17N5 — CID 18769880

IUPAC1-(diaminomethylidene)-2-(3-methylbutan-2-yl)guanidine
SMILESCC(C)C(C)/N=C(\N)N=C(N)N
InChIInChI=1S/C7H17N5/c1-4(2)5(3)11-7(10)12-6(8)9/h4-5H,1-3H3,(H6,8,9,10,11,12)
InChIKeyALMWSCLFVVOSCB-UHFFFAOYSA-N
MW171.25 g/mol
LogP-0.38
Rot. Bonds2

About 1-(diaminomethylidene)-2-(3-methylbutan-2-yl)guanidine

1-(diaminomethylidene)-2-(3-methylbutan-2-yl)guanidine (PubChem CID 18769880) has the molecular formula C7H17N5 and a molecular weight of 171.25 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(3-methylbutan-2-yl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(3-methylbutan-2-yl)guanidine
PubChem CID18769880
Molecular FormulaC7H17N5
Molecular Weight171.25 g/mol
Exact Mass171.15
IUPAC Name1-(diaminomethylidene)-2-(3-methylbutan-2-yl)guanidine
SMILESCC(C)C(C)/N=C(\N)N=C(N)N
InChIInChI=1S/C7H17N5/c1-4(2)5(3)11-7(10)12-6(8)9/h4-5H,1-3H3,(H6,8,9,10,11,12)
InChIKeyALMWSCLFVVOSCB-UHFFFAOYSA-N
XLogP-0.38
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.25
LogP ≤ 5-0.38
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-(3-methylbutan-2-yl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(3-methylbutan-2-yl)guanidine (CID 18769880) is 1-(diaminomethylidene)-2-(3-methylbutan-2-yl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(3-methylbutan-2-yl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(3-methylbutan-2-yl)guanidine is CC(C)C(C)/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-(3-methylbutan-2-yl)guanidine?
The InChIKey is ALMWSCLFVVOSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5/c1-4(2)5(3)11-7(10)12-6(8)9/h4-5H,1-3H3,(H6,8,9,10,11,12).
What are the key properties of 1-(diaminomethylidene)-2-(3-methylbutan-2-yl)guanidine?
1-(diaminomethylidene)-2-(3-methylbutan-2-yl)guanidine has a molecular weight of 171.25 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(3-methylbutan-2-yl)guanidine is sourced from PubChem (CID 18769880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).