1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine

C10H18N4O — CID 116511027

IUPAC1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine
SMILESCCCN/C(=N\Cc1ccc(C)o1)NN
InChIInChI=1S/C10H18N4O/c1-3-6-12-10(14-11)13-7-9-5-4-8(2)15-9/h4-5H,3,6-7,11H2,1-2H3,(H2,12,13,14)
InChIKeyUQNRIPHYYQQVON-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.91
Rot. Bonds4

About 1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine

1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine (PubChem CID 116511027) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine.

Molecular Properties

Compound Name1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine
PubChem CID116511027
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine
SMILESCCCN/C(=N\Cc1ccc(C)o1)NN
InChIInChI=1S/C10H18N4O/c1-3-6-12-10(14-11)13-7-9-5-4-8(2)15-9/h4-5H,3,6-7,11H2,1-2H3,(H2,12,13,14)
InChIKeyUQNRIPHYYQQVON-UHFFFAOYSA-N
XLogP0.91
TPSA75.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine
CID 116511034
1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine
CID 116513829
1-amino-3-butyl-2-(furan-2-ylmethyl)guanidine
CID 116511392
1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine
CID 116516090
1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine
CID 104886304
1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine
CID 114958064
1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 116511394
1-amino-3-butyl-2-[(4-methylphenyl)methyl]guanidine
CID 116512548
1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine
CID 21213
2-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3-phenylguanidine
CID 46379210
1-amino-3-butyl-2-(furan-3-ylmethyl)guanidine
CID 116516521
3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine
CID 116513240

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine?
The IUPAC name of 1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine (CID 116511027) is 1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine.
What is the SMILES notation for 1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine?
The canonical SMILES for 1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine is CCCN/C(=N\Cc1ccc(C)o1)NN.
What is the InChIKey of 1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine?
The InChIKey is UQNRIPHYYQQVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-6-12-10(14-11)13-7-9-5-4-8(2)15-9/h4-5H,3,6-7,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine?
1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine has a molecular weight of 210.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine is sourced from PubChem (CID 116511027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).