3-N-ethyl-7-methoxy-1-N-(5-methoxy-3-methylidenehex-4-enyl)-5-methyl-4-propan-2-ylocta-5,7-diene-1,3-diamine

C23H42N2O2 — CID 123267406

IUPAC3-N-ethyl-7-methoxy-1-N-(5-methoxy-3-methylidenehex-4-enyl)-5-methyl-4-propan-2-ylocta-5,7-diene-1,3-diamine
SMILESC=C(C=C(C)OC)CCNCCC(NCC)C(C(C)=CC(=C)OC)C(C)C
InChIInChI=1S/C23H42N2O2/c1-10-25-22(23(17(2)3)19(5)16-21(7)27-9)12-14-24-13-11-18(4)15-20(6)26-8/h15-17,22-25H,4,7,10-14H2,1-3,5-6,8-9H3
InChIKeyKKGHPXAFRZMQSE-UHFFFAOYSA-N
MW378.60 g/mol
LogP4.82
Rot. Bonds15

About 3-N-ethyl-7-methoxy-1-N-(5-methoxy-3-methylidenehex-4-enyl)-5-methyl-4-propan-2-ylocta-5,7-diene-1,3-diamine

3-N-ethyl-7-methoxy-1-N-(5-methoxy-3-methylidenehex-4-enyl)-5-methyl-4-propan-2-ylocta-5,7-diene-1,3-diamine (PubChem CID 123267406) has the molecular formula C23H42N2O2 and a molecular weight of 378.60 g/mol. Its IUPAC name is 3-N-ethyl-7-methoxy-1-N-(5-methoxy-3-methylidenehex-4-enyl)-5-methyl-4-propan-2-ylocta-5,7-diene-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-7-methoxy-1-N-(5-methoxy-3-methylidenehex-4-enyl)-5-methyl-4-propan-2-ylocta-5,7-diene-1,3-diamine
PubChem CID123267406
Molecular FormulaC23H42N2O2
Molecular Weight378.60 g/mol
Exact Mass378.32
IUPAC Name3-N-ethyl-7-methoxy-1-N-(5-methoxy-3-methylidenehex-4-enyl)-5-methyl-4-propan-2-ylocta-5,7-diene-1,3-diamine
SMILESC=C(C=C(C)OC)CCNCCC(NCC)C(C(C)=CC(=C)OC)C(C)C
InChIInChI=1S/C23H42N2O2/c1-10-25-22(23(17(2)3)19(5)16-21(7)27-9)12-14-24-13-11-18(4)15-20(6)26-8/h15-17,22-25H,4,7,10-14H2,1-3,5-6,8-9H3
InChIKeyKKGHPXAFRZMQSE-UHFFFAOYSA-N
XLogP4.82
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.60
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-N-ethyl-7-methoxy-1-N-(5-methoxy-3-methylidenehex-4-enyl)-5-methyl-4-propan-2-ylocta-5,7-diene-1,3-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-N-[(E,4R)-2-ethenyl-4-propoxyhex-2-enyl]-2-ethylhexane-1,5-diamine
CID 89038965
1-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-2,4-dien-1-yl)-N-methylpropan-2-amine
CID 118245174
2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 135219146
N'-[(2Z,4E)-2-ethenyl-3,5-dimethoxyhexa-2,4-dienyl]-2-methyl-N'-[(4Z,6Z)-9-methylcyclodeca-4,6-dien-1-yl]propane-1,3-diamine
CID 156157062
(5Z)-4-ethyl-7-methoxy-N-methylocta-5,7-dien-2-amine
CID 163989217
(1S)-5-ethyl-3-[(E,6Z)-6-ethylidene-9-methyldec-3-en-2-yl]-4-methoxy-N,6-dimethylcyclohexa-2,4-dien-1-amine
CID 174023376
N'-[(3E,5E)-3,5-dimethoxyhepta-3,5-dienyl]-N'-[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]-2-methylpropane-1,3-diamine
CID 145027124

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-7-methoxy-1-N-(5-methoxy-3-methylidenehex-4-enyl)-5-methyl-4-propan-2-ylocta-5,7-diene-1,3-diamine?
The IUPAC name of 3-N-ethyl-7-methoxy-1-N-(5-methoxy-3-methylidenehex-4-enyl)-5-methyl-4-propan-2-ylocta-5,7-diene-1,3-diamine (CID 123267406) is 3-N-ethyl-7-methoxy-1-N-(5-methoxy-3-methylidenehex-4-enyl)-5-methyl-4-propan-2-ylocta-5,7-diene-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-7-methoxy-1-N-(5-methoxy-3-methylidenehex-4-enyl)-5-methyl-4-propan-2-ylocta-5,7-diene-1,3-diamine?
The canonical SMILES for 3-N-ethyl-7-methoxy-1-N-(5-methoxy-3-methylidenehex-4-enyl)-5-methyl-4-propan-2-ylocta-5,7-diene-1,3-diamine is C=C(C=C(C)OC)CCNCCC(NCC)C(C(C)=CC(=C)OC)C(C)C.
What is the InChIKey of 3-N-ethyl-7-methoxy-1-N-(5-methoxy-3-methylidenehex-4-enyl)-5-methyl-4-propan-2-ylocta-5,7-diene-1,3-diamine?
The InChIKey is KKGHPXAFRZMQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O2/c1-10-25-22(23(17(2)3)19(5)16-21(7)27-9)12-14-24-13-11-18(4)15-20(6)26-8/h15-17,22-25H,4,7,10-14H2,1-3,5-6,8-9H3.
What are the key properties of 3-N-ethyl-7-methoxy-1-N-(5-methoxy-3-methylidenehex-4-enyl)-5-methyl-4-propan-2-ylocta-5,7-diene-1,3-diamine?
3-N-ethyl-7-methoxy-1-N-(5-methoxy-3-methylidenehex-4-enyl)-5-methyl-4-propan-2-ylocta-5,7-diene-1,3-diamine has a molecular weight of 378.60 g/mol, XLogP of 4.82, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-7-methoxy-1-N-(5-methoxy-3-methylidenehex-4-enyl)-5-methyl-4-propan-2-ylocta-5,7-diene-1,3-diamine is sourced from PubChem (CID 123267406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).