N-(2-ethenyl-5-propan-2-ylimidazol-1-yl)methanimine

C9H13N3 — CID 176690534

IUPACN-(2-ethenyl-5-propan-2-ylimidazol-1-yl)methanimine
SMILESC=Cc1ncc(C(C)C)n1N=C
InChIInChI=1S/C9H13N3/c1-5-9-11-6-8(7(2)3)12(9)10-4/h5-7H,1,4H2,2-3H3
InChIKeyCPBHDOIVHUCSSJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.11
Rot. Bonds3

About N-(2-ethenyl-5-propan-2-ylimidazol-1-yl)methanimine

N-(2-ethenyl-5-propan-2-ylimidazol-1-yl)methanimine (PubChem CID 176690534) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N-(2-ethenyl-5-propan-2-ylimidazol-1-yl)methanimine.

Molecular Properties

Compound NameN-(2-ethenyl-5-propan-2-ylimidazol-1-yl)methanimine
PubChem CID176690534
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN-(2-ethenyl-5-propan-2-ylimidazol-1-yl)methanimine
SMILESC=Cc1ncc(C(C)C)n1N=C
InChIInChI=1S/C9H13N3/c1-5-9-11-6-8(7(2)3)12(9)10-4/h5-7H,1,4H2,2-3H3
InChIKeyCPBHDOIVHUCSSJ-UHFFFAOYSA-N
XLogP2.11
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazol-1-yl]methanimine
CID 177189462
2-ethenyl-3-(methylideneamino)imidazole-4-carbonitrile
CID 145148923
ethane;1-ethenyl-5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazole
CID 169268606
1-[4-[2-ethenyl-3-(propan-2-ylideneamino)imidazol-4-yl]phenyl]ethanone
CID 143692339
2,5-di(propan-2-yl)imidazol-1-amine
CID 126670780
N-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine
CID 142363960
1-[(4-fluorophenyl)methyl]-5-propan-2-ylimidazole-2-carbaldehyde
CID 118905645
3,6-di(propan-2-yl)imidazo[1,2-a]pyridine
CID 71042080
2-bromo-1-ethyl-5-propan-2-ylimidazole
CID 117260098
3,4-bis(ethenyl)-5-methyl-2-propan-2-ylpyridine
CID 145358810
4,5-bis(ethenyl)-6-propan-2-ylpyrimidine
CID 143453413
6-chloro-8-methyl-3-propan-2-ylimidazo[1,2-a]pyridine
CID 130603885

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyl-5-propan-2-ylimidazol-1-yl)methanimine?
The IUPAC name of N-(2-ethenyl-5-propan-2-ylimidazol-1-yl)methanimine (CID 176690534) is N-(2-ethenyl-5-propan-2-ylimidazol-1-yl)methanimine.
What is the SMILES notation for N-(2-ethenyl-5-propan-2-ylimidazol-1-yl)methanimine?
The canonical SMILES for N-(2-ethenyl-5-propan-2-ylimidazol-1-yl)methanimine is C=Cc1ncc(C(C)C)n1N=C.
What is the InChIKey of N-(2-ethenyl-5-propan-2-ylimidazol-1-yl)methanimine?
The InChIKey is CPBHDOIVHUCSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-5-9-11-6-8(7(2)3)12(9)10-4/h5-7H,1,4H2,2-3H3.
What are the key properties of N-(2-ethenyl-5-propan-2-ylimidazol-1-yl)methanimine?
N-(2-ethenyl-5-propan-2-ylimidazol-1-yl)methanimine has a molecular weight of 163.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyl-5-propan-2-ylimidazol-1-yl)methanimine is sourced from PubChem (CID 176690534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).