N-[2-methyl-4-(methylideneamino)-1H-imidazol-5-yl]propan-2-imine

C8H12N4 — CID 91008120

IUPACN-[2-methyl-4-(methylideneamino)-1H-imidazol-5-yl]propan-2-imine
SMILESC=Nc1nc(C)[nH]c1N=C(C)C
InChIInChI=1S/C8H12N4/c1-5(2)10-8-7(9-4)11-6(3)12-8/h4H2,1-3H3,(H,11,12)
InChIKeyQNVBLCHLQYGMJY-UHFFFAOYSA-N
MW164.21 g/mol
LogP2.16
Rot. Bonds2

About N-[2-methyl-4-(methylideneamino)-1H-imidazol-5-yl]propan-2-imine

N-[2-methyl-4-(methylideneamino)-1H-imidazol-5-yl]propan-2-imine (PubChem CID 91008120) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is N-[2-methyl-4-(methylideneamino)-1H-imidazol-5-yl]propan-2-imine.

Molecular Properties

Compound NameN-[2-methyl-4-(methylideneamino)-1H-imidazol-5-yl]propan-2-imine
PubChem CID91008120
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC NameN-[2-methyl-4-(methylideneamino)-1H-imidazol-5-yl]propan-2-imine
SMILESC=Nc1nc(C)[nH]c1N=C(C)C
InChIInChI=1S/C8H12N4/c1-5(2)10-8-7(9-4)11-6(3)12-8/h4H2,1-3H3,(H,11,12)
InChIKeyQNVBLCHLQYGMJY-UHFFFAOYSA-N
XLogP2.16
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(methylideneamino)-1H-imidazol-5-yl]propan-2-imine?
The IUPAC name of N-[2-methyl-4-(methylideneamino)-1H-imidazol-5-yl]propan-2-imine (CID 91008120) is N-[2-methyl-4-(methylideneamino)-1H-imidazol-5-yl]propan-2-imine.
What is the SMILES notation for N-[2-methyl-4-(methylideneamino)-1H-imidazol-5-yl]propan-2-imine?
The canonical SMILES for N-[2-methyl-4-(methylideneamino)-1H-imidazol-5-yl]propan-2-imine is C=Nc1nc(C)[nH]c1N=C(C)C.
What is the InChIKey of N-[2-methyl-4-(methylideneamino)-1H-imidazol-5-yl]propan-2-imine?
The InChIKey is QNVBLCHLQYGMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-5(2)10-8-7(9-4)11-6(3)12-8/h4H2,1-3H3,(H,11,12).
What are the key properties of N-[2-methyl-4-(methylideneamino)-1H-imidazol-5-yl]propan-2-imine?
N-[2-methyl-4-(methylideneamino)-1H-imidazol-5-yl]propan-2-imine has a molecular weight of 164.21 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(methylideneamino)-1H-imidazol-5-yl]propan-2-imine is sourced from PubChem (CID 91008120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).