5-amino-1-propan-2-yl-N'-[(Z)-prop-1-enyl]imidazole-4-carboximidamide

C10H17N5 — CID 126723593

IUPAC5-amino-1-propan-2-yl-N'-[(Z)-prop-1-enyl]imidazole-4-carboximidamide
SMILESC/C=C\N=C(/N)c1ncn(C(C)C)c1N
InChIInChI=1S/C10H17N5/c1-4-5-13-9(11)8-10(12)15(6-14-8)7(2)3/h4-7H,12H2,1-3H3,(H2,11,13)/b5-4-
InChIKeyKQUPLWKNWGXXNZ-PLNGDYQASA-N
MW207.28 g/mol
LogP1.29
Rot. Bonds3

About 5-amino-1-propan-2-yl-N'-[(Z)-prop-1-enyl]imidazole-4-carboximidamide

5-amino-1-propan-2-yl-N'-[(Z)-prop-1-enyl]imidazole-4-carboximidamide (PubChem CID 126723593) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-amino-1-propan-2-yl-N'-[(Z)-prop-1-enyl]imidazole-4-carboximidamide.

Molecular Properties

Compound Name5-amino-1-propan-2-yl-N'-[(Z)-prop-1-enyl]imidazole-4-carboximidamide
PubChem CID126723593
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name5-amino-1-propan-2-yl-N'-[(Z)-prop-1-enyl]imidazole-4-carboximidamide
SMILESC/C=C\N=C(/N)c1ncn(C(C)C)c1N
InChIInChI=1S/C10H17N5/c1-4-5-13-9(11)8-10(12)15(6-14-8)7(2)3/h4-7H,12H2,1-3H3,(H2,11,13)/b5-4-
InChIKeyKQUPLWKNWGXXNZ-PLNGDYQASA-N
XLogP1.29
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-propan-2-yl-N'-[(Z)-prop-1-enyl]imidazole-4-carboximidamide?
The IUPAC name of 5-amino-1-propan-2-yl-N'-[(Z)-prop-1-enyl]imidazole-4-carboximidamide (CID 126723593) is 5-amino-1-propan-2-yl-N'-[(Z)-prop-1-enyl]imidazole-4-carboximidamide.
What is the SMILES notation for 5-amino-1-propan-2-yl-N'-[(Z)-prop-1-enyl]imidazole-4-carboximidamide?
The canonical SMILES for 5-amino-1-propan-2-yl-N'-[(Z)-prop-1-enyl]imidazole-4-carboximidamide is C/C=C\N=C(/N)c1ncn(C(C)C)c1N.
What is the InChIKey of 5-amino-1-propan-2-yl-N'-[(Z)-prop-1-enyl]imidazole-4-carboximidamide?
The InChIKey is KQUPLWKNWGXXNZ-PLNGDYQASA-N. The full InChI is InChI=1S/C10H17N5/c1-4-5-13-9(11)8-10(12)15(6-14-8)7(2)3/h4-7H,12H2,1-3H3,(H2,11,13)/b5-4-.
What are the key properties of 5-amino-1-propan-2-yl-N'-[(Z)-prop-1-enyl]imidazole-4-carboximidamide?
5-amino-1-propan-2-yl-N'-[(Z)-prop-1-enyl]imidazole-4-carboximidamide has a molecular weight of 207.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-propan-2-yl-N'-[(Z)-prop-1-enyl]imidazole-4-carboximidamide is sourced from PubChem (CID 126723593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).