methanidyl-[(2E,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-2,4,6,16-tetraen-2-yl]azanium

C24H43NO4 — CID 163141413

IUPACmethanidyl-[(2E,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-2,4,6,16-tetraen-2-yl]azanium
SMILESC=CC[C@@H](C[C@@H](C[C@@H](C[C@H](OC)/C(C)=C/C(C)=C/C=C(\C)[NH2+][CH2-])OC)OC)OC
InChIInChI=1S/C24H43NO4/c1-10-11-21(26-6)15-22(27-7)16-23(28-8)17-24(29-9)19(3)14-18(2)12-13-20(4)25-5/h10,12-14,21-24H,1,5,11,15-17,25H2,2-4,6-9H3/b18-12+,19-14+,20-13+/t21-,22-,23-,24-/m0/s1
InChIKeyJXDGYTOTBPEEPQ-MRHINEGBSA-N
MW409.61 g/mol
LogP3.94
Rot. Bonds16

About methanidyl-[(2E,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-2,4,6,16-tetraen-2-yl]azanium

methanidyl-[(2E,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-2,4,6,16-tetraen-2-yl]azanium (PubChem CID 163141413) has the molecular formula C24H43NO4 and a molecular weight of 409.61 g/mol. Its IUPAC name is methanidyl-[(2E,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-2,4,6,16-tetraen-2-yl]azanium.

Molecular Properties

Compound Namemethanidyl-[(2E,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-2,4,6,16-tetraen-2-yl]azanium
PubChem CID163141413
Molecular FormulaC24H43NO4
Molecular Weight409.61 g/mol
Exact Mass409.32
IUPAC Namemethanidyl-[(2E,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-2,4,6,16-tetraen-2-yl]azanium
SMILESC=CC[C@@H](C[C@@H](C[C@@H](C[C@H](OC)/C(C)=C/C(C)=C/C=C(\C)[NH2+][CH2-])OC)OC)OC
InChIInChI=1S/C24H43NO4/c1-10-11-21(26-6)15-22(27-7)16-23(28-8)17-24(29-9)19(3)14-18(2)12-13-20(4)25-5/h10,12-14,21-24H,1,5,11,15-17,25H2,2-4,6-9H3/b18-12+,19-14+,20-13+/t21-,22-,23-,24-/m0/s1
InChIKeyJXDGYTOTBPEEPQ-MRHINEGBSA-N
XLogP3.94
TPSA53.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.61
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methanidyl-[(2E,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-2,4,6,16-tetraen-2-yl]azanium with MolForge

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Related Compounds

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CID 163116873
4,6,8,10,12,14,16-heptamethoxy-17-methyltricosa-1,17-diene
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(4S,6S,8S,10S,12S,14S,16S,17E)-4,6,8,10,12,14,16-heptamethoxy-17-methyltricosa-1,17-diene
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2-methoxypent-4-en-1-ol
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(2S,6R)-6-methoxynon-8-en-2-ol
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(2R)-1,1-dimethoxypent-4-en-2-ol
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(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol
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(4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene
CID 139718586
(4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene
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(3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene
CID 144673111
4-chloro-4-methoxybut-1-ene
CID 163540520

Frequently Asked Questions

What is the IUPAC name of methanidyl-[(2E,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-2,4,6,16-tetraen-2-yl]azanium?
The IUPAC name of methanidyl-[(2E,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-2,4,6,16-tetraen-2-yl]azanium (CID 163141413) is methanidyl-[(2E,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-2,4,6,16-tetraen-2-yl]azanium.
What is the SMILES notation for methanidyl-[(2E,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-2,4,6,16-tetraen-2-yl]azanium?
The canonical SMILES for methanidyl-[(2E,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-2,4,6,16-tetraen-2-yl]azanium is C=CC[C@@H](C[C@@H](C[C@@H](C[C@H](OC)/C(C)=C/C(C)=C/C=C(\C)[NH2+][CH2-])OC)OC)OC.
What is the InChIKey of methanidyl-[(2E,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-2,4,6,16-tetraen-2-yl]azanium?
The InChIKey is JXDGYTOTBPEEPQ-MRHINEGBSA-N. The full InChI is InChI=1S/C24H43NO4/c1-10-11-21(26-6)15-22(27-7)16-23(28-8)17-24(29-9)19(3)14-18(2)12-13-20(4)25-5/h10,12-14,21-24H,1,5,11,15-17,25H2,2-4,6-9H3/b18-12+,19-14+,20-13+/t21-,22-,23-,24-/m0/s1.
What are the key properties of methanidyl-[(2E,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-2,4,6,16-tetraen-2-yl]azanium?
methanidyl-[(2E,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-2,4,6,16-tetraen-2-yl]azanium has a molecular weight of 409.61 g/mol, XLogP of 3.94, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-[(2E,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-2,4,6,16-tetraen-2-yl]azanium is sourced from PubChem (CID 163141413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).