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

C8H13N3O — CID 60723769

IUPAC1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine
SMILES[H]/N=C(\N)N(C)Cc1ccc(C)o1
InChIInChI=1S/C8H13N3O/c1-6-3-4-7(12-6)5-11(2)8(9)10/h3-4H,5H2,1-2H3,(H3,9,10)
InChIKeyMNAZQZAPQPJBDU-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.91
Rot. Bonds2

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

1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine (PubChem CID 60723769) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine
PubChem CID60723769
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine
SMILES[H]/N=C(\N)N(C)Cc1ccc(C)o1
InChIInChI=1S/C8H13N3O/c1-6-3-4-7(12-6)5-11(2)8(9)10/h3-4H,5H2,1-2H3,(H3,9,10)
InChIKeyMNAZQZAPQPJBDU-UHFFFAOYSA-N
XLogP0.91
TPSA66.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
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

methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
2-(5-methylfuran-2-yl)ethanimidamide
CID 83676174
4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 43519484
3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120504472
2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 76893225
1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide
CID 81179940
3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 115173902
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689
2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 63590309

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine?
The IUPAC name of 1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine (CID 60723769) is 1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine.
What is the SMILES notation for 1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine?
The canonical SMILES for 1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine is [H]/N=C(\N)N(C)Cc1ccc(C)o1.
What is the InChIKey of 1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine?
The InChIKey is MNAZQZAPQPJBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-3-4-7(12-6)5-11(2)8(9)10/h3-4H,5H2,1-2H3,(H3,9,10).
What are the key properties of 1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine?
1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine has a molecular weight of 167.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine is sourced from PubChem (CID 60723769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).