1-(diaminomethylidene)-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)guanidine

C14H17N5O — CID 168602626

IUPAC1-(diaminomethylidene)-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)guanidine
SMILESNC(N)=N/C(N)=N/c1cccc2c3c(oc12)CCCC3
InChIInChI=1S/C14H17N5O/c15-13(16)19-14(17)18-10-6-3-5-9-8-4-1-2-7-11(8)20-12(9)10/h3,5-6H,1-2,4,7H2,(H6,15,16,17,18,19)
InChIKeyALOKUNDTEHZBNI-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.53
Rot. Bonds1

About 1-(diaminomethylidene)-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)guanidine

1-(diaminomethylidene)-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)guanidine (PubChem CID 168602626) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)guanidine
PubChem CID168602626
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-(diaminomethylidene)-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)guanidine
SMILESNC(N)=N/C(N)=N/c1cccc2c3c(oc12)CCCC3
InChIInChI=1S/C14H17N5O/c15-13(16)19-14(17)18-10-6-3-5-9-8-4-1-2-7-11(8)20-12(9)10/h3,5-6H,1-2,4,7H2,(H6,15,16,17,18,19)
InChIKeyALOKUNDTEHZBNI-UHFFFAOYSA-N
XLogP1.53
TPSA115.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(6,7,8,9-tetrahydrodibenzofuran-4-yl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)guanidine (CID 168602626) is 1-(diaminomethylidene)-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)guanidine is NC(N)=N/C(N)=N/c1cccc2c3c(oc12)CCCC3.
What is the InChIKey of 1-(diaminomethylidene)-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)guanidine?
The InChIKey is ALOKUNDTEHZBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c15-13(16)19-14(17)18-10-6-3-5-9-8-4-1-2-7-11(8)20-12(9)10/h3,5-6H,1-2,4,7H2,(H6,15,16,17,18,19).
What are the key properties of 1-(diaminomethylidene)-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)guanidine?
1-(diaminomethylidene)-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)guanidine has a molecular weight of 271.32 g/mol, XLogP of 1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)guanidine is sourced from PubChem (CID 168602626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).