2-[[(3E,5Z)-2-(diethylamino)-3-ethenylhepta-3,5-dienyl]amino]-N-ethyl-N'-[(Z)-hex-3-enyl]ethanimidamide

C23H42N4 — CID 134270272

IUPAC2-[[(3E,5Z)-2-(diethylamino)-3-ethenylhepta-3,5-dienyl]amino]-N-ethyl-N'-[(Z)-hex-3-enyl]ethanimidamide
SMILESC=C/C(=C\C=C/C)C(CNC/C(=N/CC/C=C\CC)NCC)N(CC)CC
InChIInChI=1S/C23H42N4/c1-7-13-15-16-18-26-23(25-10-4)20-24-19-22(27(11-5)12-6)21(9-3)17-14-8-2/h8-9,13-15,17,22,24H,3,7,10-12,16,18-20H2,1-2,4-6H3,(H,25,26)/b14-8-,15-13-,21-17+
InChIKeyUVIGCLRFVLQACP-ZXDUXRCOSA-N
MW374.62 g/mol
LogP4.34
Rot. Bonds15

About 2-[[(3E,5Z)-2-(diethylamino)-3-ethenylhepta-3,5-dienyl]amino]-N-ethyl-N'-[(Z)-hex-3-enyl]ethanimidamide

2-[[(3E,5Z)-2-(diethylamino)-3-ethenylhepta-3,5-dienyl]amino]-N-ethyl-N'-[(Z)-hex-3-enyl]ethanimidamide (PubChem CID 134270272) has the molecular formula C23H42N4 and a molecular weight of 374.62 g/mol. Its IUPAC name is 2-[[(3E,5Z)-2-(diethylamino)-3-ethenylhepta-3,5-dienyl]amino]-N-ethyl-N'-[(Z)-hex-3-enyl]ethanimidamide.

Molecular Properties

Compound Name2-[[(3E,5Z)-2-(diethylamino)-3-ethenylhepta-3,5-dienyl]amino]-N-ethyl-N'-[(Z)-hex-3-enyl]ethanimidamide
PubChem CID134270272
Molecular FormulaC23H42N4
Molecular Weight374.62 g/mol
Exact Mass374.34
IUPAC Name2-[[(3E,5Z)-2-(diethylamino)-3-ethenylhepta-3,5-dienyl]amino]-N-ethyl-N'-[(Z)-hex-3-enyl]ethanimidamide
SMILESC=C/C(=C\C=C/C)C(CNC/C(=N/CC/C=C\CC)NCC)N(CC)CC
InChIInChI=1S/C23H42N4/c1-7-13-15-16-18-26-23(25-10-4)20-24-19-22(27(11-5)12-6)21(9-3)17-14-8-2/h8-9,13-15,17,22,24H,3,7,10-12,16,18-20H2,1-2,4-6H3,(H,25,26)/b14-8-,15-13-,21-17+
InChIKeyUVIGCLRFVLQACP-ZXDUXRCOSA-N
XLogP4.34
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.62
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3E,5Z)-2-(diethylamino)-3-ethenylhepta-3,5-dienyl]amino]-N-ethyl-N'-[(Z)-hex-3-enyl]ethanimidamide?
The IUPAC name of 2-[[(3E,5Z)-2-(diethylamino)-3-ethenylhepta-3,5-dienyl]amino]-N-ethyl-N'-[(Z)-hex-3-enyl]ethanimidamide (CID 134270272) is 2-[[(3E,5Z)-2-(diethylamino)-3-ethenylhepta-3,5-dienyl]amino]-N-ethyl-N'-[(Z)-hex-3-enyl]ethanimidamide.
What is the SMILES notation for 2-[[(3E,5Z)-2-(diethylamino)-3-ethenylhepta-3,5-dienyl]amino]-N-ethyl-N'-[(Z)-hex-3-enyl]ethanimidamide?
The canonical SMILES for 2-[[(3E,5Z)-2-(diethylamino)-3-ethenylhepta-3,5-dienyl]amino]-N-ethyl-N'-[(Z)-hex-3-enyl]ethanimidamide is C=C/C(=C\C=C/C)C(CNC/C(=N/CC/C=C\CC)NCC)N(CC)CC.
What is the InChIKey of 2-[[(3E,5Z)-2-(diethylamino)-3-ethenylhepta-3,5-dienyl]amino]-N-ethyl-N'-[(Z)-hex-3-enyl]ethanimidamide?
The InChIKey is UVIGCLRFVLQACP-ZXDUXRCOSA-N. The full InChI is InChI=1S/C23H42N4/c1-7-13-15-16-18-26-23(25-10-4)20-24-19-22(27(11-5)12-6)21(9-3)17-14-8-2/h8-9,13-15,17,22,24H,3,7,10-12,16,18-20H2,1-2,4-6H3,(H,25,26)/b14-8-,15-13-,21-17+.
What are the key properties of 2-[[(3E,5Z)-2-(diethylamino)-3-ethenylhepta-3,5-dienyl]amino]-N-ethyl-N'-[(Z)-hex-3-enyl]ethanimidamide?
2-[[(3E,5Z)-2-(diethylamino)-3-ethenylhepta-3,5-dienyl]amino]-N-ethyl-N'-[(Z)-hex-3-enyl]ethanimidamide has a molecular weight of 374.62 g/mol, XLogP of 4.34, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3E,5Z)-2-(diethylamino)-3-ethenylhepta-3,5-dienyl]amino]-N-ethyl-N'-[(Z)-hex-3-enyl]ethanimidamide is sourced from PubChem (CID 134270272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).