(E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine

C12H18N2O — CID 10262406

IUPAC(E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine
SMILESCN[C@@H](C)C/C=C/c1cncc(OC)c1
InChIInChI=1S/C12H18N2O/c1-10(13-2)5-4-6-11-7-12(15-3)9-14-8-11/h4,6-10,13H,5H2,1-3H3/b6-4+/t10-/m0/s1
InChIKeyHXZJTUDXVFHWOB-RWCYGVJQSA-N
MW206.29 g/mol
LogP2.10
Rot. Bonds5

About (E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine

(E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine (PubChem CID 10262406) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine.

Molecular Properties

Compound Name(E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine
PubChem CID10262406
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine
SMILESCN[C@@H](C)C/C=C/c1cncc(OC)c1
InChIInChI=1S/C12H18N2O/c1-10(13-2)5-4-6-11-7-12(15-3)9-14-8-11/h4,6-10,13H,5H2,1-3H3/b6-4+/t10-/m0/s1
InChIKeyHXZJTUDXVFHWOB-RWCYGVJQSA-N
XLogP2.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine?
The IUPAC name of (E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine (CID 10262406) is (E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine.
What is the SMILES notation for (E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine?
The canonical SMILES for (E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine is CN[C@@H](C)C/C=C/c1cncc(OC)c1.
What is the InChIKey of (E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine?
The InChIKey is HXZJTUDXVFHWOB-RWCYGVJQSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(13-2)5-4-6-11-7-12(15-3)9-14-8-11/h4,6-10,13H,5H2,1-3H3/b6-4+/t10-/m0/s1.
What are the key properties of (E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine?
(E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine has a molecular weight of 206.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine is sourced from PubChem (CID 10262406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).