N'-[(3Z)-penta-1,3-dien-2-yl]-N-[(5E,7Z)-5-[(Z)-prop-1-enyl]nona-1,5,7-trien-4-ylidene]methanimidamide

C18H24N2 — CID 170322743

IUPACN'-[(3Z)-penta-1,3-dien-2-yl]-N-[(5E,7Z)-5-[(Z)-prop-1-enyl]nona-1,5,7-trien-4-ylidene]methanimidamide
SMILESC=CCC(=N\C=N/C(=C)/C=C\C)/C(/C=C\C)=C/C=C\C
InChIInChI=1S/C18H24N2/c1-6-10-14-17(12-8-3)18(13-9-4)20-15-19-16(5)11-7-2/h6-12,14-15H,4-5,13H2,1-3H3/b10-6-,11-7-,12-8-,17-14+,19-15+,20-18+
InChIKeyORBCBEVBUVFOGS-PCSHUAKTSA-N
MW268.40 g/mol
LogP5.20
Rot. Bonds8

About N'-[(3Z)-penta-1,3-dien-2-yl]-N-[(5E,7Z)-5-[(Z)-prop-1-enyl]nona-1,5,7-trien-4-ylidene]methanimidamide

N'-[(3Z)-penta-1,3-dien-2-yl]-N-[(5E,7Z)-5-[(Z)-prop-1-enyl]nona-1,5,7-trien-4-ylidene]methanimidamide (PubChem CID 170322743) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N'-[(3Z)-penta-1,3-dien-2-yl]-N-[(5E,7Z)-5-[(Z)-prop-1-enyl]nona-1,5,7-trien-4-ylidene]methanimidamide.

Molecular Properties

Compound NameN'-[(3Z)-penta-1,3-dien-2-yl]-N-[(5E,7Z)-5-[(Z)-prop-1-enyl]nona-1,5,7-trien-4-ylidene]methanimidamide
PubChem CID170322743
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN'-[(3Z)-penta-1,3-dien-2-yl]-N-[(5E,7Z)-5-[(Z)-prop-1-enyl]nona-1,5,7-trien-4-ylidene]methanimidamide
SMILESC=CCC(=N\C=N/C(=C)/C=C\C)/C(/C=C\C)=C/C=C\C
InChIInChI=1S/C18H24N2/c1-6-10-14-17(12-8-3)18(13-9-4)20-15-19-16(5)11-7-2/h6-12,14-15H,4-5,13H2,1-3H3/b10-6-,11-7-,12-8-,17-14+,19-15+,20-18+
InChIKeyORBCBEVBUVFOGS-PCSHUAKTSA-N
XLogP5.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3Z)-penta-1,3-dien-2-yl]-N-[(5E,7Z)-5-[(Z)-prop-1-enyl]nona-1,5,7-trien-4-ylidene]methanimidamide?
The IUPAC name of N'-[(3Z)-penta-1,3-dien-2-yl]-N-[(5E,7Z)-5-[(Z)-prop-1-enyl]nona-1,5,7-trien-4-ylidene]methanimidamide (CID 170322743) is N'-[(3Z)-penta-1,3-dien-2-yl]-N-[(5E,7Z)-5-[(Z)-prop-1-enyl]nona-1,5,7-trien-4-ylidene]methanimidamide.
What is the SMILES notation for N'-[(3Z)-penta-1,3-dien-2-yl]-N-[(5E,7Z)-5-[(Z)-prop-1-enyl]nona-1,5,7-trien-4-ylidene]methanimidamide?
The canonical SMILES for N'-[(3Z)-penta-1,3-dien-2-yl]-N-[(5E,7Z)-5-[(Z)-prop-1-enyl]nona-1,5,7-trien-4-ylidene]methanimidamide is C=CCC(=N\C=N/C(=C)/C=C\C)/C(/C=C\C)=C/C=C\C.
What is the InChIKey of N'-[(3Z)-penta-1,3-dien-2-yl]-N-[(5E,7Z)-5-[(Z)-prop-1-enyl]nona-1,5,7-trien-4-ylidene]methanimidamide?
The InChIKey is ORBCBEVBUVFOGS-PCSHUAKTSA-N. The full InChI is InChI=1S/C18H24N2/c1-6-10-14-17(12-8-3)18(13-9-4)20-15-19-16(5)11-7-2/h6-12,14-15H,4-5,13H2,1-3H3/b10-6-,11-7-,12-8-,17-14+,19-15+,20-18+.
What are the key properties of N'-[(3Z)-penta-1,3-dien-2-yl]-N-[(5E,7Z)-5-[(Z)-prop-1-enyl]nona-1,5,7-trien-4-ylidene]methanimidamide?
N'-[(3Z)-penta-1,3-dien-2-yl]-N-[(5E,7Z)-5-[(Z)-prop-1-enyl]nona-1,5,7-trien-4-ylidene]methanimidamide has a molecular weight of 268.40 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-penta-1,3-dien-2-yl]-N-[(5E,7Z)-5-[(Z)-prop-1-enyl]nona-1,5,7-trien-4-ylidene]methanimidamide is sourced from PubChem (CID 170322743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).