N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazol-1-yl]methanimine

C10H15N3 — CID 177189462

IUPACN-[5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazol-1-yl]methanimine
SMILESC=Nn1c(C(C)C)cnc1/C=C\C
InChIInChI=1S/C10H15N3/c1-5-6-10-12-7-9(8(2)3)13(10)11-4/h5-8H,4H2,1-3H3/b6-5-
InChIKeyXBPOPMGMRSWXLJ-WAYWQWQTSA-N
MW177.25 g/mol
LogP2.50
Rot. Bonds3

About N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazol-1-yl]methanimine

N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazol-1-yl]methanimine (PubChem CID 177189462) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazol-1-yl]methanimine.

Molecular Properties

Compound NameN-[5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazol-1-yl]methanimine
PubChem CID177189462
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-[5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazol-1-yl]methanimine
SMILESC=Nn1c(C(C)C)cnc1/C=C\C
InChIInChI=1S/C10H15N3/c1-5-6-10-12-7-9(8(2)3)13(10)11-4/h5-8H,4H2,1-3H3/b6-5-
InChIKeyXBPOPMGMRSWXLJ-WAYWQWQTSA-N
XLogP2.50
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.50
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

1-Ethyl-4-isopropyl-1H-imidazole
CID 10057571
1-Methyl-4-propan-2-yl-2-(trifluoromethyl)imidazole
CID 152849389
1-[(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienyl]-4-propan-2-ylimidazole
CID 164596000
1-(Difluoromethyl)-2-methyl-4-propan-2-ylimidazole
CID 166088434
2-(Difluoromethyl)-1-methyl-4-propan-2-ylimidazole
CID 169155852
2-(1,1-Difluoroethyl)-1-methyl-4-propan-2-ylimidazole
CID 169945044
N,N,2,5-tetramethylimidazol-1-amine
CID 12460725
Allyl-3-methylimidazole chloride
CID 171037461
3-[2,4-Di(propan-2-yl)imidazol-1-yl]propanenitrile
CID 12250968
1-Methyl-2,4-di(propan-2-yl)imidazole
CID 12199484
1,2-Dimethyl-4-prop-1-en-2-ylimidazole
CID 14592868
2-(2,3-Diethylimidazol-4-yl)propanenitrile
CID 20319499

Frequently Asked Questions

What is the IUPAC name of N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazol-1-yl]methanimine?
The IUPAC name of N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazol-1-yl]methanimine (CID 177189462) is N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazol-1-yl]methanimine.
What is the SMILES notation for N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazol-1-yl]methanimine?
The canonical SMILES for N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazol-1-yl]methanimine is C=Nn1c(C(C)C)cnc1/C=C\C.
What is the InChIKey of N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazol-1-yl]methanimine?
The InChIKey is XBPOPMGMRSWXLJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H15N3/c1-5-6-10-12-7-9(8(2)3)13(10)11-4/h5-8H,4H2,1-3H3/b6-5-.
What are the key properties of N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazol-1-yl]methanimine?
N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazol-1-yl]methanimine has a molecular weight of 177.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazol-1-yl]methanimine is sourced from PubChem (CID 177189462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).