1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine

C8H13N5O — CID 21213

IUPAC1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine
SMILESCc1ccc(C/N=C(\N)N=C(N)N)o1
InChIInChI=1S/C8H13N5O/c1-5-2-3-6(14-5)4-12-8(11)13-7(9)10/h2-3H,4H2,1H3,(H6,9,10,11,12,13)
InChIKeyPDNMSYJCDHLCRW-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.32
Rot. Bonds2

About 1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine

1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine (PubChem CID 21213) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine
PubChem CID21213
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine
SMILESCc1ccc(C/N=C(\N)N=C(N)N)o1
InChIInChI=1S/C8H13N5O/c1-5-2-3-6(14-5)4-12-8(11)13-7(9)10/h2-3H,4H2,1H3,(H6,9,10,11,12,13)
InChIKeyPDNMSYJCDHLCRW-UHFFFAOYSA-N
XLogP-0.32
TPSA115.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.32
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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Related Compounds

2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
CID 119038953
1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine
CID 62525249
1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine
CID 116511027
2-[(4-bromo-3-methylphenyl)methyl]-1-(diaminomethylidene)guanidine
CID 118466297
1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine
CID 116511034
1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine
CID 83034076
azane;(5-methylfuran-2-yl)methanol
CID 175565780
2-[(3-bromophenyl)methyl]-1-(diaminomethylidene)guanidine
CID 23637934
2-(5-methylfuran-2-yl)ethanimidamide
CID 83676174
2-[(4-bromophenyl)methyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 11971697
1-(diaminomethylidene)-2-[(4-methylsulfonylphenyl)methyl]guanidine
CID 83035929
1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 83036330

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine (CID 21213) is 1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine is Cc1ccc(C/N=C(\N)N=C(N)N)o1.
What is the InChIKey of 1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine?
The InChIKey is PDNMSYJCDHLCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-5-2-3-6(14-5)4-12-8(11)13-7(9)10/h2-3H,4H2,1H3,(H6,9,10,11,12,13).
What are the key properties of 1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine?
1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine has a molecular weight of 195.23 g/mol, XLogP of -0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine is sourced from PubChem (CID 21213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).