(Z)-N-[3-[(3E,5E)-hepta-1,3,5-trien-3-yl]oxypropyl]-5-[(Z)-3-methoxyprop-1-enyl]-1-pyrrolidin-1-yloct-5-en-7-yn-3-amine

C26H40N2O2 — CID 129295837

IUPAC(Z)-N-[3-[(3E,5E)-hepta-1,3,5-trien-3-yl]oxypropyl]-5-[(Z)-3-methoxyprop-1-enyl]-1-pyrrolidin-1-yloct-5-en-7-yn-3-amine
SMILESC#C/C=C(\C=C/COC)CC(CCN1CCCC1)NCCCO/C(C=C)=C/C=C/C
InChIInChI=1S/C26H40N2O2/c1-5-8-15-26(7-3)30-22-12-17-27-25(16-20-28-18-9-10-19-28)23-24(13-6-2)14-11-21-29-4/h2,5,7-8,11,13-15,25,27H,3,9-10,12,16-23H2,1,4H3/b8-5+,14-11-,24-13+,26-15+
InChIKeySBAOGGRETXMVAD-QEZGJBHLSA-N
MW412.62 g/mol
LogP4.64
Rot. Bonds16

About (Z)-N-[3-[(3E,5E)-hepta-1,3,5-trien-3-yl]oxypropyl]-5-[(Z)-3-methoxyprop-1-enyl]-1-pyrrolidin-1-yloct-5-en-7-yn-3-amine

(Z)-N-[3-[(3E,5E)-hepta-1,3,5-trien-3-yl]oxypropyl]-5-[(Z)-3-methoxyprop-1-enyl]-1-pyrrolidin-1-yloct-5-en-7-yn-3-amine (PubChem CID 129295837) has the molecular formula C26H40N2O2 and a molecular weight of 412.62 g/mol. Its IUPAC name is (Z)-N-[3-[(3E,5E)-hepta-1,3,5-trien-3-yl]oxypropyl]-5-[(Z)-3-methoxyprop-1-enyl]-1-pyrrolidin-1-yloct-5-en-7-yn-3-amine.

Molecular Properties

Compound Name(Z)-N-[3-[(3E,5E)-hepta-1,3,5-trien-3-yl]oxypropyl]-5-[(Z)-3-methoxyprop-1-enyl]-1-pyrrolidin-1-yloct-5-en-7-yn-3-amine
PubChem CID129295837
Molecular FormulaC26H40N2O2
Molecular Weight412.62 g/mol
Exact Mass412.31
IUPAC Name(Z)-N-[3-[(3E,5E)-hepta-1,3,5-trien-3-yl]oxypropyl]-5-[(Z)-3-methoxyprop-1-enyl]-1-pyrrolidin-1-yloct-5-en-7-yn-3-amine
SMILESC#C/C=C(\C=C/COC)CC(CCN1CCCC1)NCCCO/C(C=C)=C/C=C/C
InChIInChI=1S/C26H40N2O2/c1-5-8-15-26(7-3)30-22-12-17-27-25(16-20-28-18-9-10-19-28)23-24(13-6-2)14-11-21-29-4/h2,5,7-8,11,13-15,25,27H,3,9-10,12,16-23H2,1,4H3/b8-5+,14-11-,24-13+,26-15+
InChIKeySBAOGGRETXMVAD-QEZGJBHLSA-N
XLogP4.64
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.62
LogP ≤ 54.64
H-Bond Donors ≤ 51
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (Z)-N-[3-[(3E,5E)-hepta-1,3,5-trien-3-yl]oxypropyl]-5-[(Z)-3-methoxyprop-1-enyl]-1-pyrrolidin-1-yloct-5-en-7-yn-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4Z,5E,7E,9Z)-4-[(Z)-1-ethoxybut-2-enylidene]-N-[(Z,2R,3E)-3-ethylidenehept-5-en-2-yl]-8-methoxy-5-methylundeca-2,5,7,9-tetraen-1-amine;prop-1-yne
CID 142834161
1-[1-[(2E,4E,6Z)-5-methoxy-3,4-dimethylocta-2,4,6-trienyl]-5-methylpyrrolidin-2-yl]-N-methylpropan-2-amine
CID 143623310
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 (Z)-N-[3-[(3E,5E)-hepta-1,3,5-trien-3-yl]oxypropyl]-5-[(Z)-3-methoxyprop-1-enyl]-1-pyrrolidin-1-yloct-5-en-7-yn-3-amine?
The IUPAC name of (Z)-N-[3-[(3E,5E)-hepta-1,3,5-trien-3-yl]oxypropyl]-5-[(Z)-3-methoxyprop-1-enyl]-1-pyrrolidin-1-yloct-5-en-7-yn-3-amine (CID 129295837) is (Z)-N-[3-[(3E,5E)-hepta-1,3,5-trien-3-yl]oxypropyl]-5-[(Z)-3-methoxyprop-1-enyl]-1-pyrrolidin-1-yloct-5-en-7-yn-3-amine.
What is the SMILES notation for (Z)-N-[3-[(3E,5E)-hepta-1,3,5-trien-3-yl]oxypropyl]-5-[(Z)-3-methoxyprop-1-enyl]-1-pyrrolidin-1-yloct-5-en-7-yn-3-amine?
The canonical SMILES for (Z)-N-[3-[(3E,5E)-hepta-1,3,5-trien-3-yl]oxypropyl]-5-[(Z)-3-methoxyprop-1-enyl]-1-pyrrolidin-1-yloct-5-en-7-yn-3-amine is C#C/C=C(\C=C/COC)CC(CCN1CCCC1)NCCCO/C(C=C)=C/C=C/C.
What is the InChIKey of (Z)-N-[3-[(3E,5E)-hepta-1,3,5-trien-3-yl]oxypropyl]-5-[(Z)-3-methoxyprop-1-enyl]-1-pyrrolidin-1-yloct-5-en-7-yn-3-amine?
The InChIKey is SBAOGGRETXMVAD-QEZGJBHLSA-N. The full InChI is InChI=1S/C26H40N2O2/c1-5-8-15-26(7-3)30-22-12-17-27-25(16-20-28-18-9-10-19-28)23-24(13-6-2)14-11-21-29-4/h2,5,7-8,11,13-15,25,27H,3,9-10,12,16-23H2,1,4H3/b8-5+,14-11-,24-13+,26-15+.
What are the key properties of (Z)-N-[3-[(3E,5E)-hepta-1,3,5-trien-3-yl]oxypropyl]-5-[(Z)-3-methoxyprop-1-enyl]-1-pyrrolidin-1-yloct-5-en-7-yn-3-amine?
(Z)-N-[3-[(3E,5E)-hepta-1,3,5-trien-3-yl]oxypropyl]-5-[(Z)-3-methoxyprop-1-enyl]-1-pyrrolidin-1-yloct-5-en-7-yn-3-amine has a molecular weight of 412.62 g/mol, XLogP of 4.64, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-[(3E,5E)-hepta-1,3,5-trien-3-yl]oxypropyl]-5-[(Z)-3-methoxyprop-1-enyl]-1-pyrrolidin-1-yloct-5-en-7-yn-3-amine is sourced from PubChem (CID 129295837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).