ethane;(2E,4Z)-N-[[5-ethyl-4-methyl-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-methylhepta-2,4,6-trien-3-amine;molecular hydrogen;propane

C26H46N2 — CID 168936828

About ethane;(2E,4Z)-N-[[5-ethyl-4-methyl-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-methylhepta-2,4,6-trien-3-amine;molecular hydrogen;propane

ethane;(2E,4Z)-N-[[5-ethyl-4-methyl-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-methylhepta-2,4,6-trien-3-amine;molecular hydrogen;propane (PubChem CID 168936828) has the molecular formula C26H46N2 and a molecular weight of 386.67 g/mol. Its IUPAC name is ethane;(2E,4Z)-N-[[5-ethyl-4-methyl-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-methylhepta-2,4,6-trien-3-amine;molecular hydrogen;propane.

Molecular Properties

• Compound Name: ethane;(2E,4Z)-N-[[5-ethyl-4-methyl-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-methylhepta-2,4,6-trien-3-amine;molecular hydrogen;propane
• PubChem CID: 168936828
• Molecular Formula: C26H46N2
• Molecular Weight: 386.67 g/mol
• Exact Mass: 386.37
• IUPAC Name: ethane;(2E,4Z)-N-[[5-ethyl-4-methyl-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-methylhepta-2,4,6-trien-3-amine;molecular hydrogen;propane
• SMILES: C=C/C=C(C)\C(=C/C)NCC1=C/C(=N\C=C/C)C(C)C(CC)=C1.CC.CCC.[H][H]
• InChI: InChI=1S/C21H30N2.C3H8.C2H6.H2/c1-7-11-16(5)20(10-4)23-15-18-13-19(9-3)17(6)21(14-18)22-12-8-2;1-3-2;1-2;/h7-8,10-14,17,23H,1,9,15H2,2-6H3;3H2,1-2H3;1-2H3;1H/b12-8-,16-11-,20-10+,22-21+
• InChIKey: WOABFWPFWBPCMB-VOHVXFBDSA-N
• XLogP: 8.19
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.67
LogP ≤ 5	8.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z)-N-[[5-ethyl-4-methyl-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-methylhepta-2,4,6-trien-3-amine;molecular hydrogen;propane?

The IUPAC name of ethane;(2E,4Z)-N-[[5-ethyl-4-methyl-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-methylhepta-2,4,6-trien-3-amine;molecular hydrogen;propane (CID 168936828) is ethane;(2E,4Z)-N-[[5-ethyl-4-methyl-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-methylhepta-2,4,6-trien-3-amine;molecular hydrogen;propane.

What is the SMILES notation for ethane;(2E,4Z)-N-[[5-ethyl-4-methyl-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-methylhepta-2,4,6-trien-3-amine;molecular hydrogen;propane?

The canonical SMILES for ethane;(2E,4Z)-N-[[5-ethyl-4-methyl-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-methylhepta-2,4,6-trien-3-amine;molecular hydrogen;propane is C=C/C=C(C)\C(=C/C)NCC1=C/C(=N\C=C/C)C(C)C(CC)=C1.CC.CCC.[H][H].

What is the InChIKey of ethane;(2E,4Z)-N-[[5-ethyl-4-methyl-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-methylhepta-2,4,6-trien-3-amine;molecular hydrogen;propane?

The InChIKey is WOABFWPFWBPCMB-VOHVXFBDSA-N. The full InChI is InChI=1S/C21H30N2.C3H8.C2H6.H2/c1-7-11-16(5)20(10-4)23-15-18-13-19(9-3)17(6)21(14-18)22-12-8-2;1-3-2;1-2;/h7-8,10-14,17,23H,1,9,15H2,2-6H3;3H2,1-2H3;1-2H3;1H/b12-8-,16-11-,20-10+,22-21+;;;.

What are the key properties of ethane;(2E,4Z)-N-[[5-ethyl-4-methyl-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-methylhepta-2,4,6-trien-3-amine;molecular hydrogen;propane?

ethane;(2E,4Z)-N-[[5-ethyl-4-methyl-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-methylhepta-2,4,6-trien-3-amine;molecular hydrogen;propane has a molecular weight of 386.67 g/mol, XLogP of 8.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(2E,4Z)-N-[[5-ethyl-4-methyl-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-methylhepta-2,4,6-trien-3-amine;molecular hydrogen;propane is sourced from PubChem (CID 168936828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).