ethane;N-[2-[[(2E,5E)-2-ethenyl-4,7-dimethyl-6-propan-2-ylocta-2,5,7-trienyl]amino]-7,8-dimethylnona-1,5,8-trien-3-ylidene]-N'-(methyliminomethyl)ethanimidamide

C32H52N4 — CID 143343794

IUPACethane;N-[2-[[(2E,5E)-2-ethenyl-4,7-dimethyl-6-propan-2-ylocta-2,5,7-trienyl]amino]-7,8-dimethylnona-1,5,8-trien-3-ylidene]-N'-(methyliminomethyl)ethanimidamide
SMILESC=C/C(=C\C(C)/C=C(/C(=C)C)C(C)C)CNC(=C)/C(CC=CC(C)C(=C)C)=N/C(C)=N/C=N/C.CC
InChIInChI=1S/C30H46N4.C2H6/c1-13-28(17-24(8)18-29(22(4)5)23(6)7)19-32-26(10)30(34-27(11)33-20-31-12)16-14-15-25(9)21(2)3;1-2/h13-15,17-18,20,23-25,32H,1-2,4,10,16,19H2,3,5-9,11-12H3;1-2H3/b15-14?,28-17+,29-18-,31-20+,33-27+,34-30+;
InChIKeyHZNUWVRBXOQEAE-FPLHCWITSA-N
MW492.80 g/mol
LogP8.70
Rot. Bonds14

About ethane;N-[2-[[(2E,5E)-2-ethenyl-4,7-dimethyl-6-propan-2-ylocta-2,5,7-trienyl]amino]-7,8-dimethylnona-1,5,8-trien-3-ylidene]-N'-(methyliminomethyl)ethanimidamide

ethane;N-[2-[[(2E,5E)-2-ethenyl-4,7-dimethyl-6-propan-2-ylocta-2,5,7-trienyl]amino]-7,8-dimethylnona-1,5,8-trien-3-ylidene]-N'-(methyliminomethyl)ethanimidamide (PubChem CID 143343794) has the molecular formula C32H52N4 and a molecular weight of 492.80 g/mol. Its IUPAC name is ethane;N-[2-[[(2E,5E)-2-ethenyl-4,7-dimethyl-6-propan-2-ylocta-2,5,7-trienyl]amino]-7,8-dimethylnona-1,5,8-trien-3-ylidene]-N'-(methyliminomethyl)ethanimidamide.

Molecular Properties

Compound Nameethane;N-[2-[[(2E,5E)-2-ethenyl-4,7-dimethyl-6-propan-2-ylocta-2,5,7-trienyl]amino]-7,8-dimethylnona-1,5,8-trien-3-ylidene]-N'-(methyliminomethyl)ethanimidamide
PubChem CID143343794
Molecular FormulaC32H52N4
Molecular Weight492.80 g/mol
Exact Mass492.42
IUPAC Nameethane;N-[2-[[(2E,5E)-2-ethenyl-4,7-dimethyl-6-propan-2-ylocta-2,5,7-trienyl]amino]-7,8-dimethylnona-1,5,8-trien-3-ylidene]-N'-(methyliminomethyl)ethanimidamide
SMILESC=C/C(=C\C(C)/C=C(/C(=C)C)C(C)C)CNC(=C)/C(CC=CC(C)C(=C)C)=N/C(C)=N/C=N/C.CC
InChIInChI=1S/C30H46N4.C2H6/c1-13-28(17-24(8)18-29(22(4)5)23(6)7)19-32-26(10)30(34-27(11)33-20-31-12)16-14-15-25(9)21(2)3;1-2/h13-15,17-18,20,23-25,32H,1-2,4,10,16,19H2,3,5-9,11-12H3;1-2H3/b15-14?,28-17+,29-18-,31-20+,33-27+,34-30+;
InChIKeyHZNUWVRBXOQEAE-FPLHCWITSA-N
XLogP8.70
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.80
LogP ≤ 58.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze ethane;N-[2-[[(2E,5E)-2-ethenyl-4,7-dimethyl-6-propan-2-ylocta-2,5,7-trienyl]amino]-7,8-dimethylnona-1,5,8-trien-3-ylidene]-N'-(methyliminomethyl)ethanimidamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[[(2E,5E)-2-ethenyl-4,7-dimethyl-6-propan-2-ylocta-2,5,7-trienyl]amino]-7,8-dimethylnona-1,5,8-trien-3-ylidene]-N'-(methyliminomethyl)ethanimidamide?
The IUPAC name of ethane;N-[2-[[(2E,5E)-2-ethenyl-4,7-dimethyl-6-propan-2-ylocta-2,5,7-trienyl]amino]-7,8-dimethylnona-1,5,8-trien-3-ylidene]-N'-(methyliminomethyl)ethanimidamide (CID 143343794) is ethane;N-[2-[[(2E,5E)-2-ethenyl-4,7-dimethyl-6-propan-2-ylocta-2,5,7-trienyl]amino]-7,8-dimethylnona-1,5,8-trien-3-ylidene]-N'-(methyliminomethyl)ethanimidamide.
What is the SMILES notation for ethane;N-[2-[[(2E,5E)-2-ethenyl-4,7-dimethyl-6-propan-2-ylocta-2,5,7-trienyl]amino]-7,8-dimethylnona-1,5,8-trien-3-ylidene]-N'-(methyliminomethyl)ethanimidamide?
The canonical SMILES for ethane;N-[2-[[(2E,5E)-2-ethenyl-4,7-dimethyl-6-propan-2-ylocta-2,5,7-trienyl]amino]-7,8-dimethylnona-1,5,8-trien-3-ylidene]-N'-(methyliminomethyl)ethanimidamide is C=C/C(=C\C(C)/C=C(/C(=C)C)C(C)C)CNC(=C)/C(CC=CC(C)C(=C)C)=N/C(C)=N/C=N/C.CC.
What is the InChIKey of ethane;N-[2-[[(2E,5E)-2-ethenyl-4,7-dimethyl-6-propan-2-ylocta-2,5,7-trienyl]amino]-7,8-dimethylnona-1,5,8-trien-3-ylidene]-N'-(methyliminomethyl)ethanimidamide?
The InChIKey is HZNUWVRBXOQEAE-FPLHCWITSA-N. The full InChI is InChI=1S/C30H46N4.C2H6/c1-13-28(17-24(8)18-29(22(4)5)23(6)7)19-32-26(10)30(34-27(11)33-20-31-12)16-14-15-25(9)21(2)3;1-2/h13-15,17-18,20,23-25,32H,1-2,4,10,16,19H2,3,5-9,11-12H3;1-2H3/b15-14?,28-17+,29-18-,31-20+,33-27+,34-30+;.
What are the key properties of ethane;N-[2-[[(2E,5E)-2-ethenyl-4,7-dimethyl-6-propan-2-ylocta-2,5,7-trienyl]amino]-7,8-dimethylnona-1,5,8-trien-3-ylidene]-N'-(methyliminomethyl)ethanimidamide?
ethane;N-[2-[[(2E,5E)-2-ethenyl-4,7-dimethyl-6-propan-2-ylocta-2,5,7-trienyl]amino]-7,8-dimethylnona-1,5,8-trien-3-ylidene]-N'-(methyliminomethyl)ethanimidamide has a molecular weight of 492.80 g/mol, XLogP of 8.70, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[[(2E,5E)-2-ethenyl-4,7-dimethyl-6-propan-2-ylocta-2,5,7-trienyl]amino]-7,8-dimethylnona-1,5,8-trien-3-ylidene]-N'-(methyliminomethyl)ethanimidamide is sourced from PubChem (CID 143343794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).