3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine

C12H15N5O2 — CID 11971724

IUPAC3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C12H15N5O2/c13-11(14)16-12(15)17(7-9-3-1-5-18-9)8-10-4-2-6-19-10/h1-6H,7-8H2,(H5,13,14,15,16)
InChIKeyJGGMVSIFJAJFQG-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.08
Rot. Bonds4

About 3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine

3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine (PubChem CID 11971724) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine
PubChem CID11971724
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C12H15N5O2/c13-11(14)16-12(15)17(7-9-3-1-5-18-9)8-10-4-2-6-19-10/h1-6H,7-8H2,(H5,13,14,15,16)
InChIKeyJGGMVSIFJAJFQG-UHFFFAOYSA-N
XLogP1.08
TPSA117.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(furan-2-ylmethyl)ethanimidamide
CID 63172933
3-(diaminomethylidene)-1-ethyl-1-(pyridin-4-ylmethyl)guanidine
CID 83031465
3-N'-(furan-2-ylmethyl)propanediimidamide
CID 10442294
1-(furan-2-ylmethyl)-1-prop-2-enylthiourea
CID 172640364
3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 83036577
1-(furan-2-ylmethyl)-1-sulfanylurea
CID 57212509
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N,N-bis(furan-2-ylmethyl)-2-methoxy-2-methylpropanamide
CID 103029007
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085
N-ethyl-N-(furan-2-ylmethyl)but-2-enamide
CID 112727369
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572

Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine?
The IUPAC name of 3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine (CID 11971724) is 3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine?
The canonical SMILES for 3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine is [H]/N=C(\N=C(N)N)N(Cc1ccco1)Cc1ccco1.
What is the InChIKey of 3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine?
The InChIKey is JGGMVSIFJAJFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c13-11(14)16-12(15)17(7-9-3-1-5-18-9)8-10-4-2-6-19-10/h1-6H,7-8H2,(H5,13,14,15,16).
What are the key properties of 3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine?
3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine has a molecular weight of 261.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine is sourced from PubChem (CID 11971724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).