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

C12H19ClN2O — CID 68854835

IUPAC(E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine;hydrochloride
SMILESCN[C@@H](C)C/C=C/c1cncc(OC)c1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-10(13-2)5-4-6-11-7-12(15-3)9-14-8-11;/h4,6-10,13H,5H2,1-3H3;1H/b6-4+;/t10-;/m0./s1
InChIKeyFARSKHAFHAMJMW-UMCLVOGKSA-N
MW242.75 g/mol
LogP2.52
Rot. Bonds5

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

(E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine;hydrochloride (PubChem CID 68854835) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is (E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine;hydrochloride.

Molecular Properties

Compound Name(E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine;hydrochloride
PubChem CID68854835
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name(E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine;hydrochloride
SMILESCN[C@@H](C)C/C=C/c1cncc(OC)c1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-10(13-2)5-4-6-11-7-12(15-3)9-14-8-11;/h4,6-10,13H,5H2,1-3H3;1H/b6-4+;/t10-;/m0./s1
InChIKeyFARSKHAFHAMJMW-UMCLVOGKSA-N
XLogP2.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.52
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;hydrochloride?
The IUPAC name of (E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine;hydrochloride (CID 68854835) is (E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine;hydrochloride.
What is the SMILES notation for (E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine;hydrochloride?
The canonical SMILES for (E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine;hydrochloride is CN[C@@H](C)C/C=C/c1cncc(OC)c1.Cl.
What is the InChIKey of (E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine;hydrochloride?
The InChIKey is FARSKHAFHAMJMW-UMCLVOGKSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-10(13-2)5-4-6-11-7-12(15-3)9-14-8-11;/h4,6-10,13H,5H2,1-3H3;1H/b6-4+;/t10-;/m0./s1.
What are the key properties of (E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine;hydrochloride?
(E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 2.52, 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;hydrochloride is sourced from PubChem (CID 68854835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).