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

C7H11N3 — CID 135966105

IUPAC1-(1H-imidazol-5-yl)-N-propylmethanimine
SMILESCCC/N=C/c1cnc[nH]1
InChIInChI=1S/C7H11N3/c1-2-3-8-4-7-5-9-6-10-7/h4-6H,2-3H2,1H3,(H,9,10)/b8-4+
InChIKeyXXPFIOZKZGANOE-XBXARRHUSA-N
MW137.19 g/mol
LogP1.24
Rot. Bonds3

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

1-(1H-imidazol-5-yl)-N-propylmethanimine (PubChem CID 135966105) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-N-propylmethanimine.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-N-propylmethanimine
PubChem CID135966105
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-(1H-imidazol-5-yl)-N-propylmethanimine
SMILESCCC/N=C/c1cnc[nH]1
InChIInChI=1S/C7H11N3/c1-2-3-8-4-7-5-9-6-10-7/h4-6H,2-3H2,1H3,(H,9,10)/b8-4+
InChIKeyXXPFIOZKZGANOE-XBXARRHUSA-N
XLogP1.24
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.24
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

2-(1H-imidazol-5-ylmethylideneamino)-N,N-dimethylethanamine
CID 136726194
(NE)-N-(1H-imidazol-5-ylmethylidene)hydroxylamine
CID 135591025
1-(1H-imidazol-5-yl)-N-[[3-[(1H-imidazol-5-ylmethylideneamino)methyl]phenyl]methyl]methanimine
CID 137147559
1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine
CID 137270215
1-(5-methyl-1H-imidazol-4-yl)-N-propylmethanimine
CID 136819197
1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea
CID 137274384
5-hepta-1,3-dienyl-1H-imidazole
CID 137333497
N-[3,4-di(tetradecoxy)phenyl]-1-(1H-imidazol-5-yl)methanimine
CID 136859599
N-(3,4-dihexadecoxyphenyl)-1-(1H-imidazol-5-yl)methanimine
CID 136859598
N-(3,4-dihexoxyphenyl)-1-(1H-imidazol-5-yl)methanimine
CID 136859596
2-(1H-imidazol-5-ylmethylideneamino)propanoic acid
CID 137241948
1-(1H-imidazol-5-yl)-N-[(1S,2S)-2-(1H-imidazol-5-ylmethylideneamino)cyclohexyl]methanimine
CID 136812088

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-N-propylmethanimine?
The IUPAC name of 1-(1H-imidazol-5-yl)-N-propylmethanimine (CID 135966105) is 1-(1H-imidazol-5-yl)-N-propylmethanimine.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-N-propylmethanimine?
The canonical SMILES for 1-(1H-imidazol-5-yl)-N-propylmethanimine is CCC/N=C/c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-N-propylmethanimine?
The InChIKey is XXPFIOZKZGANOE-XBXARRHUSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-3-8-4-7-5-9-6-10-7/h4-6H,2-3H2,1H3,(H,9,10)/b8-4+.
What are the key properties of 1-(1H-imidazol-5-yl)-N-propylmethanimine?
1-(1H-imidazol-5-yl)-N-propylmethanimine has a molecular weight of 137.19 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-N-propylmethanimine is sourced from PubChem (CID 135966105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).