1-(1H-imidazol-2-yl)-N-pentylmethanimine

C9H15N3 — CID 137270391

IUPAC1-(1H-imidazol-2-yl)-N-pentylmethanimine
SMILESCCCCC/N=C/c1ncc[nH]1
InChIInChI=1S/C9H15N3/c1-2-3-4-5-10-8-9-11-6-7-12-9/h6-8H,2-5H2,1H3,(H,11,12)/b10-8+
InChIKeyQQZVOUPXLYUMRX-CSKARUKUSA-N
MW165.24 g/mol
LogP2.02
Rot. Bonds5

About 1-(1H-imidazol-2-yl)-N-pentylmethanimine

1-(1H-imidazol-2-yl)-N-pentylmethanimine (PubChem CID 137270391) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-N-pentylmethanimine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-N-pentylmethanimine
PubChem CID137270391
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(1H-imidazol-2-yl)-N-pentylmethanimine
SMILESCCCCC/N=C/c1ncc[nH]1
InChIInChI=1S/C9H15N3/c1-2-3-4-5-10-8-9-11-6-7-12-9/h6-8H,2-5H2,1H3,(H,11,12)/b10-8+
InChIKeyQQZVOUPXLYUMRX-CSKARUKUSA-N
XLogP2.02
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(1H-imidazol-2-yl)methanimine
CID 160847439
1-(1H-imidazol-2-yl)-N-(3-phenylselanylpropyl)methanimine
CID 136861254
dipotassium;bis(2-(1H-imidazol-2-ylmethylideneamino)-N,N-bis[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);bis(iron(2+));hexaperchlorate
CID 139151851
2-[(Z)-pent-1-enyl]-1H-imidazole
CID 129140949
2-pent-1-enyl-1H-imidazole
CID 57076372
dichloropalladium;N-dodecyl-1-pyridin-2-ylmethanimine
CID 11190208
N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine
CID 122366565
2-dodecyl-1H-imidazole
CID 22019838
N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine
CID 163616597
2-octyl-1H-imidazole
CID 18347297
2-octadecyl-1H-imidazole
CID 54221067

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-N-pentylmethanimine?
The IUPAC name of 1-(1H-imidazol-2-yl)-N-pentylmethanimine (CID 137270391) is 1-(1H-imidazol-2-yl)-N-pentylmethanimine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-N-pentylmethanimine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-N-pentylmethanimine is CCCCC/N=C/c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-N-pentylmethanimine?
The InChIKey is QQZVOUPXLYUMRX-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-3-4-5-10-8-9-11-6-7-12-9/h6-8H,2-5H2,1H3,(H,11,12)/b10-8+.
What are the key properties of 1-(1H-imidazol-2-yl)-N-pentylmethanimine?
1-(1H-imidazol-2-yl)-N-pentylmethanimine has a molecular weight of 165.24 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-N-pentylmethanimine is sourced from PubChem (CID 137270391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).