1-(diaminomethylidene)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine

C12H17N5 — CID 83035920

IUPAC1-(diaminomethylidene)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
SMILESNC(N)=N/C(N)=N/C1CCc2ccccc2C1
InChIInChI=1S/C12H17N5/c13-11(14)17-12(15)16-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H6,13,14,15,16,17)
InChIKeyXBLHFQPRDPIRGZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.13
Rot. Bonds1

About 1-(diaminomethylidene)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine

1-(diaminomethylidene)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine (PubChem CID 83035920) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
PubChem CID83035920
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-(diaminomethylidene)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
SMILESNC(N)=N/C(N)=N/C1CCc2ccccc2C1
InChIInChI=1S/C12H17N5/c13-11(14)17-12(15)16-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H6,13,14,15,16,17)
InChIKeyXBLHFQPRDPIRGZ-UHFFFAOYSA-N
XLogP0.13
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.13
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-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine (CID 83035920) is 1-(diaminomethylidene)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine is NC(N)=N/C(N)=N/C1CCc2ccccc2C1.
What is the InChIKey of 1-(diaminomethylidene)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
The InChIKey is XBLHFQPRDPIRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c13-11(14)17-12(15)16-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H6,13,14,15,16,17).
What are the key properties of 1-(diaminomethylidene)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
1-(diaminomethylidene)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine has a molecular weight of 231.30 g/mol, XLogP of 0.13, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine is sourced from PubChem (CID 83035920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).