N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine

C7H11N3 — CID 144930583

IUPACN-methyl-5-propan-2-ylidene-1H-imidazol-4-imine
SMILESC/N=C1\N=CNC1=C(C)C
InChIInChI=1S/C7H11N3/c1-5(2)6-7(8-3)10-4-9-6/h4H,1-3H3,(H,8,9,10)
InChIKeyHBAADTDDNMPQQQ-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.94
Rot. Bonds

About N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine

N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine (PubChem CID 144930583) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine.

Molecular Properties

Compound NameN-methyl-5-propan-2-ylidene-1H-imidazol-4-imine
PubChem CID144930583
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC NameN-methyl-5-propan-2-ylidene-1H-imidazol-4-imine
SMILESC/N=C1\N=CNC1=C(C)C
InChIInChI=1S/C7H11N3/c1-5(2)6-7(8-3)10-4-9-6/h4H,1-3H3,(H,8,9,10)
InChIKeyHBAADTDDNMPQQQ-UHFFFAOYSA-N
XLogP0.94
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-5-propan-2-ylidene-1H-imidazol-4-imine?
The IUPAC name of N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine (CID 144930583) is N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine.
What is the SMILES notation for N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine?
The canonical SMILES for N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine is C/N=C1\N=CNC1=C(C)C.
What is the InChIKey of N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine?
The InChIKey is HBAADTDDNMPQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-5(2)6-7(8-3)10-4-9-6/h4H,1-3H3,(H,8,9,10).
What are the key properties of N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine?
N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine has a molecular weight of 137.19 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine is sourced from PubChem (CID 144930583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).