N-butyl-1-pyridin-2-ylethanimine

C11H16N2 — CID 583773

IUPACN-butyl-1-pyridin-2-ylethanimine
SMILESCCCC/N=C(\C)c1ccccn1
InChIInChI=1S/C11H16N2/c1-3-4-8-12-10(2)11-7-5-6-9-13-11/h5-7,9H,3-4,8H2,1-2H3/b12-10+
InChIKeyWZVJPFDGFQPBAQ-ZRDIBKRKSA-N
MW176.26 g/mol
LogP2.69
Rot. Bonds4

About N-butyl-1-pyridin-2-ylethanimine

N-butyl-1-pyridin-2-ylethanimine (PubChem CID 583773) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-butyl-1-pyridin-2-ylethanimine.

Molecular Properties

Compound NameN-butyl-1-pyridin-2-ylethanimine
PubChem CID583773
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-butyl-1-pyridin-2-ylethanimine
SMILESCCCC/N=C(\C)c1ccccn1
InChIInChI=1S/C11H16N2/c1-3-4-8-12-10(2)11-7-5-6-9-13-11/h5-7,9H,3-4,8H2,1-2H3/b12-10+
InChIKeyWZVJPFDGFQPBAQ-ZRDIBKRKSA-N
XLogP2.69
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
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

1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine
CID 14907728
dichlorovanadium;3-(1-pyridin-2-ylethylideneamino)propan-1-ol
CID 59378654
3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine
CID 139178723
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine
CID 102087049
1-[6-(N-butyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanone
CID 138733924
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
1-pyridin-2-ylhexan-1-one
CID 556347
dicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate
CID 139081439
[(E)-1-pyridin-2-ylethylideneamino]methylthiourea
CID 145130202
S-butyl pyridine-2-carbothioate
CID 102127019
N-methoxy-1-pyridin-2-ylethanimine
CID 87078601

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-pyridin-2-ylethanimine?
The IUPAC name of N-butyl-1-pyridin-2-ylethanimine (CID 583773) is N-butyl-1-pyridin-2-ylethanimine.
What is the SMILES notation for N-butyl-1-pyridin-2-ylethanimine?
The canonical SMILES for N-butyl-1-pyridin-2-ylethanimine is CCCC/N=C(\C)c1ccccn1.
What is the InChIKey of N-butyl-1-pyridin-2-ylethanimine?
The InChIKey is WZVJPFDGFQPBAQ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-4-8-12-10(2)11-7-5-6-9-13-11/h5-7,9H,3-4,8H2,1-2H3/b12-10+.
What are the key properties of N-butyl-1-pyridin-2-ylethanimine?
N-butyl-1-pyridin-2-ylethanimine has a molecular weight of 176.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-pyridin-2-ylethanimine is sourced from PubChem (CID 583773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).