ethane;(2E,4Z)-4-[[methyl-[2-[methyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hexa-2,4-dien-3-ol

C23H44N2O — CID 144573083

About ethane;(2E,4Z)-4-[[methyl-[2-[methyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hexa-2,4-dien-3-ol

ethane;(2E,4Z)-4-[[methyl-[2-[methyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hexa-2,4-dien-3-ol (PubChem CID 144573083) has the molecular formula C23H44N2O and a molecular weight of 364.62 g/mol. Its IUPAC name is ethane;(2E,4Z)-4-[[methyl-[2-[methyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hexa-2,4-dien-3-ol.

Molecular Properties

• Compound Name: ethane;(2E,4Z)-4-[[methyl-[2-[methyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hexa-2,4-dien-3-ol
• PubChem CID: 144573083
• Molecular Formula: C23H44N2O
• Molecular Weight: 364.62 g/mol
• Exact Mass: 364.35
• IUPAC Name: ethane;(2E,4Z)-4-[[methyl-[2-[methyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hexa-2,4-dien-3-ol
• SMILES: C=C/C=C(\C=C/C)CN(C)CCN(C)CC(=C/C)/C(O)=C\C.CC.CC
• InChI: InChI=1S/C19H32N2O.2C2H6/c1-7-11-17(12-8-2)15-20(5)13-14-21(6)16-18(9-3)19(22)10-4;2*1-2/h7-12,22H,1,13-16H2,2-6H3;2*1-2H3/b12-8-,17-11+,18-9-,19-10+
• InChIKey: LWQVGNQBBHFANY-JSHJHOCLSA-N
• XLogP: 6.00
• TPSA: 26.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	364.62
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z)-4-[[methyl-[2-[methyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hexa-2,4-dien-3-ol?

The IUPAC name of ethane;(2E,4Z)-4-[[methyl-[2-[methyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hexa-2,4-dien-3-ol (CID 144573083) is ethane;(2E,4Z)-4-[[methyl-[2-[methyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hexa-2,4-dien-3-ol.

What is the SMILES notation for ethane;(2E,4Z)-4-[[methyl-[2-[methyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hexa-2,4-dien-3-ol?

The canonical SMILES for ethane;(2E,4Z)-4-[[methyl-[2-[methyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hexa-2,4-dien-3-ol is C=C/C=C(\C=C/C)CN(C)CCN(C)CC(=C/C)/C(O)=C\C.CC.CC.

What is the InChIKey of ethane;(2E,4Z)-4-[[methyl-[2-[methyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hexa-2,4-dien-3-ol?

The InChIKey is LWQVGNQBBHFANY-JSHJHOCLSA-N. The full InChI is InChI=1S/C19H32N2O.2C2H6/c1-7-11-17(12-8-2)15-20(5)13-14-21(6)16-18(9-3)19(22)10-4;2*1-2/h7-12,22H,1,13-16H2,2-6H3;2*1-2H3/b12-8-,17-11+,18-9-,19-10+;;.

What are the key properties of ethane;(2E,4Z)-4-[[methyl-[2-[methyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hexa-2,4-dien-3-ol?

ethane;(2E,4Z)-4-[[methyl-[2-[methyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hexa-2,4-dien-3-ol has a molecular weight of 364.62 g/mol, XLogP of 6.00, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(2E,4Z)-4-[[methyl-[2-[methyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hexa-2,4-dien-3-ol is sourced from PubChem (CID 144573083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).