(2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine

C14H22N2O — CID 103348760

IUPAC(2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine
SMILESCCNC/C(=C/c1cccc(OC)n1)C(C)C
InChIInChI=1S/C14H22N2O/c1-5-15-10-12(11(2)3)9-13-7-6-8-14(16-13)17-4/h6-9,11,15H,5,10H2,1-4H3/b12-9-
InChIKeyBQWVKPBVAVLAQA-XFXZXTDPSA-N
MW234.34 g/mol
LogP2.74
Rot. Bonds6

About (2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine

(2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine (PubChem CID 103348760) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine.

Molecular Properties

Compound Name(2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine
PubChem CID103348760
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine
SMILESCCNC/C(=C/c1cccc(OC)n1)C(C)C
InChIInChI=1S/C14H22N2O/c1-5-15-10-12(11(2)3)9-13-7-6-8-14(16-13)17-4/h6-9,11,15H,5,10H2,1-4H3/b12-9-
InChIKeyBQWVKPBVAVLAQA-XFXZXTDPSA-N
XLogP2.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-ethyl-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-en-1-amine
CID 103348775
N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79339792
2-[(3-ethoxy-2-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
CID 79339431
(2Z)-2-[(6-methoxy-2-pyridinyl)methylidene]butan-1-amine
CID 103348750
(Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid
CID 103347787
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
CID 79339699
N-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine
CID 79341964
N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79338705
N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine
CID 79339427
N-ethyl-2-[(6-methoxy-2-pyridinyl)oxy]ethanamine
CID 63586299
methyl (E)-3-(6-methoxy-2-pyridinyl)prop-2-enoate
CID 68843294
(E)-2-cyano-3-(6-methoxy-2-pyridinyl)prop-2-enoic acid
CID 118142937

Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine?
The IUPAC name of (2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine (CID 103348760) is (2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine.
What is the SMILES notation for (2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine?
The canonical SMILES for (2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine is CCNC/C(=C/c1cccc(OC)n1)C(C)C.
What is the InChIKey of (2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine?
The InChIKey is BQWVKPBVAVLAQA-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-15-10-12(11(2)3)9-13-7-6-8-14(16-13)17-4/h6-9,11,15H,5,10H2,1-4H3/b12-9-.
What are the key properties of (2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine?
(2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine is sourced from PubChem (CID 103348760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).