6-(5-methoxy-3-pyridinyl)hex-5-en-3-amine;phosphoric acid

C12H21N2O5P — CID 68853876

IUPAC6-(5-methoxy-3-pyridinyl)hex-5-en-3-amine;phosphoric acid
SMILESCCC(N)CC=Cc1cncc(OC)c1.O=P(O)(O)O
InChIInChI=1S/C12H18N2O.H3O4P/c1-3-11(13)6-4-5-10-7-12(15-2)9-14-8-10;1-5(2,3)4/h4-5,7-9,11H,3,6,13H2,1-2H3;(H3,1,2,3,4)
InChIKeyITEJLWRRYNQVTO-UHFFFAOYSA-N
MW304.28 g/mol
LogP1.30
Rot. Bonds5

About 6-(5-methoxy-3-pyridinyl)hex-5-en-3-amine;phosphoric acid

6-(5-methoxy-3-pyridinyl)hex-5-en-3-amine;phosphoric acid (PubChem CID 68853876) has the molecular formula C12H21N2O5P and a molecular weight of 304.28 g/mol. Its IUPAC name is 6-(5-methoxy-3-pyridinyl)hex-5-en-3-amine;phosphoric acid.

Molecular Properties

Compound Name6-(5-methoxy-3-pyridinyl)hex-5-en-3-amine;phosphoric acid
PubChem CID68853876
Molecular FormulaC12H21N2O5P
Molecular Weight304.28 g/mol
Exact Mass304.12
IUPAC Name6-(5-methoxy-3-pyridinyl)hex-5-en-3-amine;phosphoric acid
SMILESCCC(N)CC=Cc1cncc(OC)c1.O=P(O)(O)O
InChIInChI=1S/C12H18N2O.H3O4P/c1-3-11(13)6-4-5-10-7-12(15-2)9-14-8-10;1-5(2,3)4/h4-5,7-9,11H,3,6,13H2,1-2H3;(H3,1,2,3,4)
InChIKeyITEJLWRRYNQVTO-UHFFFAOYSA-N
XLogP1.30
TPSA125.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

6-(5-propan-2-yloxy-3-pyridinyl)hex-5-en-3-amine
CID 57085897
(E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine;hydrochloride
CID 68854835
(E,2S)-5-(5-ethoxy-3-pyridinyl)pent-4-en-2-amine;dihydrochloride
CID 178024565
3-amino-1-(5-methoxy-3-pyridinyl)pentan-1-one
CID 116609044
(E)-6-pyridin-4-ylhex-5-en-3-amine
CID 170888675
N-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine
CID 57363090
(5-methoxy-3-pyridinyl)methylidenehydrazine
CID 69400382
5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride
CID 178024402
5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine
CID 178023722
[(E)-4-(5-methoxy-3-pyridinyl)but-3-enyl] 3-(2-methylpropyl)-2-oxopyrrolidine-3-carboxylate
CID 166249031
1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine
CID 105026104
4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol
CID 18384976

Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-3-pyridinyl)hex-5-en-3-amine;phosphoric acid?
The IUPAC name of 6-(5-methoxy-3-pyridinyl)hex-5-en-3-amine;phosphoric acid (CID 68853876) is 6-(5-methoxy-3-pyridinyl)hex-5-en-3-amine;phosphoric acid.
What is the SMILES notation for 6-(5-methoxy-3-pyridinyl)hex-5-en-3-amine;phosphoric acid?
The canonical SMILES for 6-(5-methoxy-3-pyridinyl)hex-5-en-3-amine;phosphoric acid is CCC(N)CC=Cc1cncc(OC)c1.O=P(O)(O)O.
What is the InChIKey of 6-(5-methoxy-3-pyridinyl)hex-5-en-3-amine;phosphoric acid?
The InChIKey is ITEJLWRRYNQVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.H3O4P/c1-3-11(13)6-4-5-10-7-12(15-2)9-14-8-10;1-5(2,3)4/h4-5,7-9,11H,3,6,13H2,1-2H3;(H3,1,2,3,4).
What are the key properties of 6-(5-methoxy-3-pyridinyl)hex-5-en-3-amine;phosphoric acid?
6-(5-methoxy-3-pyridinyl)hex-5-en-3-amine;phosphoric acid has a molecular weight of 304.28 g/mol, XLogP of 1.30, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-3-pyridinyl)hex-5-en-3-amine;phosphoric acid is sourced from PubChem (CID 68853876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).