(E)-3-ethenyl-N-methoxypenta-2,4-dien-1-imine;N-methylpropan-2-amine;2-methylpropane;N-methylprop-1-en-2-amine

C20H41N3O — CID 143358756

IUPAC(E)-3-ethenyl-N-methoxypenta-2,4-dien-1-imine;N-methylpropan-2-amine;2-methylpropane;N-methylprop-1-en-2-amine
SMILESC=C(C)NC.C=CC(C=C)=C/C=N/OC.CC(C)C.CNC(C)C
InChIInChI=1S/C8H11NO.C4H11N.C4H9N.C4H10/c1-4-8(5-2)6-7-9-10-3;2*1-4(2)5-3;1-4(2)3/h4-7H,1-2H2,3H3;4-5H,1-3H3;5H,1H2,2-3H3;4H,1-3H3/b9-7+;;;
InChIKeyLJLGWLDEHSZOTF-UVUKSMQLSA-N
MW339.57 g/mol
LogP4.93
Rot. Bonds6

About (E)-3-ethenyl-N-methoxypenta-2,4-dien-1-imine;N-methylpropan-2-amine;2-methylpropane;N-methylprop-1-en-2-amine

(E)-3-ethenyl-N-methoxypenta-2,4-dien-1-imine;N-methylpropan-2-amine;2-methylpropane;N-methylprop-1-en-2-amine (PubChem CID 143358756) has the molecular formula C20H41N3O and a molecular weight of 339.57 g/mol. Its IUPAC name is (E)-3-ethenyl-N-methoxypenta-2,4-dien-1-imine;N-methylpropan-2-amine;2-methylpropane;N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name(E)-3-ethenyl-N-methoxypenta-2,4-dien-1-imine;N-methylpropan-2-amine;2-methylpropane;N-methylprop-1-en-2-amine
PubChem CID143358756
Molecular FormulaC20H41N3O
Molecular Weight339.57 g/mol
Exact Mass339.32
IUPAC Name(E)-3-ethenyl-N-methoxypenta-2,4-dien-1-imine;N-methylpropan-2-amine;2-methylpropane;N-methylprop-1-en-2-amine
SMILESC=C(C)NC.C=CC(C=C)=C/C=N/OC.CC(C)C.CNC(C)C
InChIInChI=1S/C8H11NO.C4H11N.C4H9N.C4H10/c1-4-8(5-2)6-7-9-10-3;2*1-4(2)5-3;1-4(2)3/h4-7H,1-2H2,3H3;4-5H,1-3H3;5H,1H2,2-3H3;4H,1-3H3/b9-7+;;;
InChIKeyLJLGWLDEHSZOTF-UVUKSMQLSA-N
XLogP4.93
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.57
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methoxy-3-methylbut-2-en-1-imine
CID 177464066
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
(2R)-3-methoxy-N-methylbut-3-en-2-amine
CID 178015260
(E)-3-methoxy-N-(3-methylbut-1-en-2-yl)pent-2-en-1-imine
CID 89313377
(3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene
CID 163402486
methoxymethane;2-methylbuta-1,3-diene
CID 159763877
ethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
CID 143363500
1,1-dimethoxy-2-methylbuta-1,3-diene
CID 11116083
methyl formate;N-methylpropan-2-amine
CID 144602032
(E)-N-methoxybut-3-en-2-imine
CID 142905738
6-methoxy-N,2,5-trimethylhex-1-en-3-amine
CID 105163815
(3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine
CID 145477828

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethenyl-N-methoxypenta-2,4-dien-1-imine;N-methylpropan-2-amine;2-methylpropane;N-methylprop-1-en-2-amine?
The IUPAC name of (E)-3-ethenyl-N-methoxypenta-2,4-dien-1-imine;N-methylpropan-2-amine;2-methylpropane;N-methylprop-1-en-2-amine (CID 143358756) is (E)-3-ethenyl-N-methoxypenta-2,4-dien-1-imine;N-methylpropan-2-amine;2-methylpropane;N-methylprop-1-en-2-amine.
What is the SMILES notation for (E)-3-ethenyl-N-methoxypenta-2,4-dien-1-imine;N-methylpropan-2-amine;2-methylpropane;N-methylprop-1-en-2-amine?
The canonical SMILES for (E)-3-ethenyl-N-methoxypenta-2,4-dien-1-imine;N-methylpropan-2-amine;2-methylpropane;N-methylprop-1-en-2-amine is C=C(C)NC.C=CC(C=C)=C/C=N/OC.CC(C)C.CNC(C)C.
What is the InChIKey of (E)-3-ethenyl-N-methoxypenta-2,4-dien-1-imine;N-methylpropan-2-amine;2-methylpropane;N-methylprop-1-en-2-amine?
The InChIKey is LJLGWLDEHSZOTF-UVUKSMQLSA-N. The full InChI is InChI=1S/C8H11NO.C4H11N.C4H9N.C4H10/c1-4-8(5-2)6-7-9-10-3;2*1-4(2)5-3;1-4(2)3/h4-7H,1-2H2,3H3;4-5H,1-3H3;5H,1H2,2-3H3;4H,1-3H3/b9-7+;;;.
What are the key properties of (E)-3-ethenyl-N-methoxypenta-2,4-dien-1-imine;N-methylpropan-2-amine;2-methylpropane;N-methylprop-1-en-2-amine?
(E)-3-ethenyl-N-methoxypenta-2,4-dien-1-imine;N-methylpropan-2-amine;2-methylpropane;N-methylprop-1-en-2-amine has a molecular weight of 339.57 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethenyl-N-methoxypenta-2,4-dien-1-imine;N-methylpropan-2-amine;2-methylpropane;N-methylprop-1-en-2-amine is sourced from PubChem (CID 143358756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).