5-(C-propan-2-yl-N-prop-2-enylcarbonimidoyl)-1H-imidazol-4-amine

C10H16N4 — CID 137291909

IUPAC5-(C-propan-2-yl-N-prop-2-enylcarbonimidoyl)-1H-imidazol-4-amine
SMILESC=CC/N=C(/c1[nH]cnc1N)C(C)C
InChIInChI=1S/C10H16N4/c1-4-5-12-8(7(2)3)9-10(11)14-6-13-9/h4,6-7H,1,5,11H2,2-3H3,(H,13,14)/b12-8+
InChIKeyDVJCILDNGBWHQW-XYOKQWHBSA-N
MW192.27 g/mol
LogP1.62
Rot. Bonds4

About 5-(C-propan-2-yl-N-prop-2-enylcarbonimidoyl)-1H-imidazol-4-amine

5-(C-propan-2-yl-N-prop-2-enylcarbonimidoyl)-1H-imidazol-4-amine (PubChem CID 137291909) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 5-(C-propan-2-yl-N-prop-2-enylcarbonimidoyl)-1H-imidazol-4-amine.

Molecular Properties

Compound Name5-(C-propan-2-yl-N-prop-2-enylcarbonimidoyl)-1H-imidazol-4-amine
PubChem CID137291909
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name5-(C-propan-2-yl-N-prop-2-enylcarbonimidoyl)-1H-imidazol-4-amine
SMILESC=CC/N=C(/c1[nH]cnc1N)C(C)C
InChIInChI=1S/C10H16N4/c1-4-5-12-8(7(2)3)9-10(11)14-6-13-9/h4,6-7H,1,5,11H2,2-3H3,(H,13,14)/b12-8+
InChIKeyDVJCILDNGBWHQW-XYOKQWHBSA-N
XLogP1.62
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-prop-2-enyl-1H-imidazole-5-carboxamide
CID 19784167
4-(15N)azanyl-1H-imidazole-5-(14N)carboxamide
CID 101129871
4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide
CID 117213982
N',4-diamino-1H-imidazole-5-carboximidamide
CID 139592585
4-amino-1H-imidazole-5-carboxamide;molecular hydrogen
CID 161460316
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide
CID 135741768
4-amino-N'-methoxy-1H-imidazole-5-carboximidamide
CID 135992594
4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 135991796
4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide
CID 174089409
4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 135459437
3-(3-methylbut-2-enyl)-7H-purin-3-ium-6-amine chloride
CID 135502812
4-(propan-2-ylamino)-1H-imidazole-5-carboxamide
CID 58431037

Frequently Asked Questions

What is the IUPAC name of 5-(C-propan-2-yl-N-prop-2-enylcarbonimidoyl)-1H-imidazol-4-amine?
The IUPAC name of 5-(C-propan-2-yl-N-prop-2-enylcarbonimidoyl)-1H-imidazol-4-amine (CID 137291909) is 5-(C-propan-2-yl-N-prop-2-enylcarbonimidoyl)-1H-imidazol-4-amine.
What is the SMILES notation for 5-(C-propan-2-yl-N-prop-2-enylcarbonimidoyl)-1H-imidazol-4-amine?
The canonical SMILES for 5-(C-propan-2-yl-N-prop-2-enylcarbonimidoyl)-1H-imidazol-4-amine is C=CC/N=C(/c1[nH]cnc1N)C(C)C.
What is the InChIKey of 5-(C-propan-2-yl-N-prop-2-enylcarbonimidoyl)-1H-imidazol-4-amine?
The InChIKey is DVJCILDNGBWHQW-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H16N4/c1-4-5-12-8(7(2)3)9-10(11)14-6-13-9/h4,6-7H,1,5,11H2,2-3H3,(H,13,14)/b12-8+.
What are the key properties of 5-(C-propan-2-yl-N-prop-2-enylcarbonimidoyl)-1H-imidazol-4-amine?
5-(C-propan-2-yl-N-prop-2-enylcarbonimidoyl)-1H-imidazol-4-amine has a molecular weight of 192.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(C-propan-2-yl-N-prop-2-enylcarbonimidoyl)-1H-imidazol-4-amine is sourced from PubChem (CID 137291909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).