1-(diaminomethylidene)-2-[(2,4,5-trimethylfuran-3-yl)methyl]guanidine

C10H17N5O — CID 23068448

IUPAC1-(diaminomethylidene)-2-[(2,4,5-trimethylfuran-3-yl)methyl]guanidine
SMILESCc1oc(C)c(C/N=C(\N)N=C(N)N)c1C
InChIInChI=1S/C10H17N5O/c1-5-6(2)16-7(3)8(5)4-14-10(13)15-9(11)12/h4H2,1-3H3,(H6,11,12,13,14,15)
InChIKeyKESBMICQAKWKQW-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.29
Rot. Bonds2

About 1-(diaminomethylidene)-2-[(2,4,5-trimethylfuran-3-yl)methyl]guanidine

1-(diaminomethylidene)-2-[(2,4,5-trimethylfuran-3-yl)methyl]guanidine (PubChem CID 23068448) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[(2,4,5-trimethylfuran-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[(2,4,5-trimethylfuran-3-yl)methyl]guanidine
PubChem CID23068448
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-(diaminomethylidene)-2-[(2,4,5-trimethylfuran-3-yl)methyl]guanidine
SMILESCc1oc(C)c(C/N=C(\N)N=C(N)N)c1C
InChIInChI=1S/C10H17N5O/c1-5-6(2)16-7(3)8(5)4-14-10(13)15-9(11)12/h4H2,1-3H3,(H6,11,12,13,14,15)
InChIKeyKESBMICQAKWKQW-UHFFFAOYSA-N
XLogP0.29
TPSA115.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.29
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

Butyl[(trimethylfuran-3-yl)methyl]amine
CID 65152933
2-[[5-Methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine
CID 59852201
2,2,2-trifluoro-N-[(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
CID 65153036
1-[4,5-Dimethyl-2-(trifluoromethyl)furan-3-yl]methanamine
CID 83609856
1-[5-Methyl-4-(propan-2-yl)-2-(trifluoromethyl)furan-3-yl]methanamine
CID 165570971
1-[2-(Difluoromethyl)-5-methyl-4-(propan-2-yl)furan-3-yl]methanamine
CID 165602481
1-[2-(Difluoromethyl)-4,5-dimethylfuran-3-yl]methanamine
CID 165854864
1-(Diaminomethylidene)-2-[(5-ethylfuran-3-yl)methyl]guanidine
CID 23068444
1-(Diaminomethylidene)-2-[(2-methylfuran-3-yl)methyl]guanidine
CID 23068446
1-(Diaminomethylidene)-2-[(4-ethylfuran-3-yl)methyl]guanidine
CID 23068449
1-(Diaminomethylidene)-2-[(5-methylfuran-3-yl)methyl]guanidine
CID 23068451
1-(Diaminomethylidene)-2-[(2,4-dimethylfuran-3-yl)methyl]guanidine
CID 23068452

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[(2,4,5-trimethylfuran-3-yl)methyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[(2,4,5-trimethylfuran-3-yl)methyl]guanidine (CID 23068448) is 1-(diaminomethylidene)-2-[(2,4,5-trimethylfuran-3-yl)methyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[(2,4,5-trimethylfuran-3-yl)methyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[(2,4,5-trimethylfuran-3-yl)methyl]guanidine is Cc1oc(C)c(C/N=C(\N)N=C(N)N)c1C.
What is the InChIKey of 1-(diaminomethylidene)-2-[(2,4,5-trimethylfuran-3-yl)methyl]guanidine?
The InChIKey is KESBMICQAKWKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-5-6(2)16-7(3)8(5)4-14-10(13)15-9(11)12/h4H2,1-3H3,(H6,11,12,13,14,15).
What are the key properties of 1-(diaminomethylidene)-2-[(2,4,5-trimethylfuran-3-yl)methyl]guanidine?
1-(diaminomethylidene)-2-[(2,4,5-trimethylfuran-3-yl)methyl]guanidine has a molecular weight of 223.28 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[(2,4,5-trimethylfuran-3-yl)methyl]guanidine is sourced from PubChem (CID 23068448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).