N-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine

C12H16N2O — CID 76696793

IUPACN-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine
SMILESC=C(CC)CON=C(C)c1ccccn1
InChIInChI=1S/C12H16N2O/c1-4-10(2)9-15-14-11(3)12-7-5-6-8-13-12/h5-8H,2,4,9H2,1,3H3
InChIKeyRBSITLLMDZRCPJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.79
Rot. Bonds5

About N-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine

N-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine (PubChem CID 76696793) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine.

Molecular Properties

Compound NameN-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine
PubChem CID76696793
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine
SMILESC=C(CC)CON=C(C)c1ccccn1
InChIInChI=1S/C12H16N2O/c1-4-10(2)9-15-14-11(3)12-7-5-6-8-13-12/h5-8H,2,4,9H2,1,3H3
InChIKeyRBSITLLMDZRCPJ-UHFFFAOYSA-N
XLogP2.79
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine
CID 76696791
N-methoxy-1-pyridin-2-ylethanimine
CID 87078601
1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine
CID 14907728
N-butyl-1-pyridin-2-ylethanimine
CID 583773
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
1-(5-chlorothiophen-2-yl)-N-(2-methylidenebutoxy)ethanimine
CID 76696792
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
N-(3-methylpentan-2-yl)-1-pyridin-2-ylethanimine
CID 90268587
trimethyl(1-pyridin-2-ylethenoxy)silane
CID 13033707
2-(3-methylbuta-1,3-dien-2-yl)pyridine
CID 91495924
N-methyl-1-[(Z)-2-pyridin-2-ylpent-2-en-3-yl]oxyethenamine
CID 139353440
N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine
CID 102087049

Frequently Asked Questions

What is the IUPAC name of N-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine?
The IUPAC name of N-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine (CID 76696793) is N-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine.
What is the SMILES notation for N-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine?
The canonical SMILES for N-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine is C=C(CC)CON=C(C)c1ccccn1.
What is the InChIKey of N-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine?
The InChIKey is RBSITLLMDZRCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-4-10(2)9-15-14-11(3)12-7-5-6-8-13-12/h5-8H,2,4,9H2,1,3H3.
What are the key properties of N-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine?
N-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine has a molecular weight of 204.27 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine is sourced from PubChem (CID 76696793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).