ethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide

C17H28N2 — CID 176578306

IUPACethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide
SMILESCC.[H]/N=C/N(/C=C\C)C(/C=C\C)=C/C=C(\C=C)CC
InChIInChI=1S/C15H22N2.C2H6/c1-5-9-15(17(13-16)12-6-2)11-10-14(7-3)8-4;1-2/h5-7,9-13,16H,3,8H2,1-2,4H3;1-2H3/b9-5-,12-6-,14-10+,15-11+,16-13+;
InChIKeyHWVROQPHBFGOGC-DUUFZYEWSA-N
MW260.42 g/mol
LogP5.44
Rot. Bonds7

About ethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide

ethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide (PubChem CID 176578306) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is ethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound Nameethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide
PubChem CID176578306
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Nameethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide
SMILESCC.[H]/N=C/N(/C=C\C)C(/C=C\C)=C/C=C(\C=C)CC
InChIInChI=1S/C15H22N2.C2H6/c1-5-9-15(17(13-16)12-6-2)11-10-14(7-3)8-4;1-2/h5-7,9-13,16H,3,8H2,1-2,4H3;1-2H3/b9-5-,12-6-,14-10+,15-11+,16-13+;
InChIKeyHWVROQPHBFGOGC-DUUFZYEWSA-N
XLogP5.44
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.44
H-Bond Donors ≤ 51
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-octa-1,3,6-trien-2-ylmethanimidamide
CID 123701301
N-(3-aminoprop-1-en-2-yl)-N-[(2E,4Z)-2-ethenyl-4-methylhepta-2,4,6-trienyl]methanimidamide;ethane
CID 141995687
[5-(2-Methylbutan-2-yl)-2-methylidene-1-pyridinyl]methanimine
CID 142376774
Ethane;(4-methyl-2-methylidene-1-pyridinyl)methanimine
CID 142392708
ethane;N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide
CID 142392847
(5-Methyl-2-methylidene-1-pyridinyl)methanimine
CID 155372104
(5-propan-2-yl-2H-pyridin-1-yl)methanimine
CID 167135540
(4Z,7E)-1,7-dimethyl-9-methylidene-6H-1,3-diazonine
CID 173554668
[(2E)-2-butylidene-1-pyridinyl]methanimine
CID 174321614
carbanide;N-[(Z)-2-(N-methylanilino)ethenyl]-N-(2-methylbenzene-6-id-1-yl)methanimidamide;praseodymium
CID 178082439
N-(3-aminoprop-1-en-2-yl)-N-[(2E,4Z)-2-ethenyl-4-methylhepta-2,4,6-trienyl]methanimidamide
CID 141995688
(4-Methyl-2-methylidene-1-pyridinyl)methanimine
CID 142392709

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide?
The IUPAC name of ethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide (CID 176578306) is ethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide.
What is the SMILES notation for ethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide?
The canonical SMILES for ethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide is CC.[H]/N=C/N(/C=C\C)C(/C=C\C)=C/C=C(\C=C)CC.
What is the InChIKey of ethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide?
The InChIKey is HWVROQPHBFGOGC-DUUFZYEWSA-N. The full InChI is InChI=1S/C15H22N2.C2H6/c1-5-9-15(17(13-16)12-6-2)11-10-14(7-3)8-4;1-2/h5-7,9-13,16H,3,8H2,1-2,4H3;1-2H3/b9-5-,12-6-,14-10+,15-11+,16-13+;.
What are the key properties of ethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide?
ethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide has a molecular weight of 260.42 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 176578306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).