1-(5-methyl-1H-imidazol-4-yl)-N-propylmethanimine

C8H13N3 — CID 136819197

IUPAC1-(5-methyl-1H-imidazol-4-yl)-N-propylmethanimine
SMILESCCC/N=C/c1nc[nH]c1C
InChIInChI=1S/C8H13N3/c1-3-4-9-5-8-7(2)10-6-11-8/h5-6H,3-4H2,1-2H3,(H,10,11)/b9-5+
InChIKeyJZVQDJBLVFDOTH-WEVVVXLNSA-N
MW151.21 g/mol
LogP1.55
Rot. Bonds3

About 1-(5-methyl-1H-imidazol-4-yl)-N-propylmethanimine

1-(5-methyl-1H-imidazol-4-yl)-N-propylmethanimine (PubChem CID 136819197) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(5-methyl-1H-imidazol-4-yl)-N-propylmethanimine.

Molecular Properties

Compound Name1-(5-methyl-1H-imidazol-4-yl)-N-propylmethanimine
PubChem CID136819197
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-(5-methyl-1H-imidazol-4-yl)-N-propylmethanimine
SMILESCCC/N=C/c1nc[nH]c1C
InChIInChI=1S/C8H13N3/c1-3-4-9-5-8-7(2)10-6-11-8/h5-6H,3-4H2,1-2H3,(H,10,11)/b9-5+
InChIKeyJZVQDJBLVFDOTH-WEVVVXLNSA-N
XLogP1.55
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-imidazol-5-yl)-N-propylmethanimine
CID 135966105
(E)-but-2-ene;ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazole
CID 145381540
(E)-2-methyl-3-(5-methyl-1H-imidazol-4-yl)prop-2-enoic acid
CID 55255310
4-(cyclopenta-2,4-dien-1-ylidenemethyl)-5-methyl-1H-imidazole
CID 25165378
N-propyl-1-pyridin-2-ylmethanimine
CID 11205848
N-[(E)-(5-methyl-1H-imidazol-4-yl)methylideneamino]-4-oxo-4-(1,3-thiazol-4-yl)butanamide
CID 172930361
4-heptyl-5-methyl-1H-imidazole
CID 89069470
6-methyl-5-propyl-1H-pyrimidine-4-thione
CID 106515436
methyl (E)-3-(5-methyl-1H-imidazol-4-yl)prop-2-enoate
CID 13206436
1-(1H-imidazol-2-yl)-N-pentylmethanimine
CID 137270391
4-[2-(2,5-dimethylphenyl)ethenyl]-5-methyl-1H-imidazole
CID 54497734
4-[6-(2,6-dimethylphenyl)hex-1-enyl]-5-methyl-1H-imidazole
CID 54546789

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-imidazol-4-yl)-N-propylmethanimine?
The IUPAC name of 1-(5-methyl-1H-imidazol-4-yl)-N-propylmethanimine (CID 136819197) is 1-(5-methyl-1H-imidazol-4-yl)-N-propylmethanimine.
What is the SMILES notation for 1-(5-methyl-1H-imidazol-4-yl)-N-propylmethanimine?
The canonical SMILES for 1-(5-methyl-1H-imidazol-4-yl)-N-propylmethanimine is CCC/N=C/c1nc[nH]c1C.
What is the InChIKey of 1-(5-methyl-1H-imidazol-4-yl)-N-propylmethanimine?
The InChIKey is JZVQDJBLVFDOTH-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-4-9-5-8-7(2)10-6-11-8/h5-6H,3-4H2,1-2H3,(H,10,11)/b9-5+.
What are the key properties of 1-(5-methyl-1H-imidazol-4-yl)-N-propylmethanimine?
1-(5-methyl-1H-imidazol-4-yl)-N-propylmethanimine has a molecular weight of 151.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-imidazol-4-yl)-N-propylmethanimine is sourced from PubChem (CID 136819197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).