(5E,6Z)-5-ethylidene-N',4-dimethyl-N-[1-(3-methylbut-3-enylamino)ethenyl]nona-2,6,8-trienimidamide

C20H31N3 — CID 129300941

IUPAC(5E,6Z)-5-ethylidene-N',4-dimethyl-N-[1-(3-methylbut-3-enylamino)ethenyl]nona-2,6,8-trienimidamide
SMILESC=C/C=C\C(=C/C)C(C)C=C/C(=N/C)NC(=C)NCCC(=C)C
InChIInChI=1S/C20H31N3/c1-8-10-11-19(9-2)17(5)12-13-20(21-7)23-18(6)22-15-14-16(3)4/h8-13,17,22H,1,3,6,14-15H2,2,4-5,7H3,(H,21,23)/b11-10-,13-12?,19-9+
InChIKeySENHDSFUKPWABO-RJCLIFKFSA-N
MW313.49 g/mol
LogP4.51
Rot. Bonds10

About (5E,6Z)-5-ethylidene-N',4-dimethyl-N-[1-(3-methylbut-3-enylamino)ethenyl]nona-2,6,8-trienimidamide

(5E,6Z)-5-ethylidene-N',4-dimethyl-N-[1-(3-methylbut-3-enylamino)ethenyl]nona-2,6,8-trienimidamide (PubChem CID 129300941) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol. Its IUPAC name is (5E,6Z)-5-ethylidene-N',4-dimethyl-N-[1-(3-methylbut-3-enylamino)ethenyl]nona-2,6,8-trienimidamide.

Molecular Properties

Compound Name(5E,6Z)-5-ethylidene-N',4-dimethyl-N-[1-(3-methylbut-3-enylamino)ethenyl]nona-2,6,8-trienimidamide
PubChem CID129300941
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC Name(5E,6Z)-5-ethylidene-N',4-dimethyl-N-[1-(3-methylbut-3-enylamino)ethenyl]nona-2,6,8-trienimidamide
SMILESC=C/C=C\C(=C/C)C(C)C=C/C(=N/C)NC(=C)NCCC(=C)C
InChIInChI=1S/C20H31N3/c1-8-10-11-19(9-2)17(5)12-13-20(21-7)23-18(6)22-15-14-16(3)4/h8-13,17,22H,1,3,6,14-15H2,2,4-5,7H3,(H,21,23)/b11-10-,13-12?,19-9+
InChIKeySENHDSFUKPWABO-RJCLIFKFSA-N
XLogP4.51
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 54.51
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of (5E,6Z)-5-ethylidene-N',4-dimethyl-N-[1-(3-methylbut-3-enylamino)ethenyl]nona-2,6,8-trienimidamide?
The IUPAC name of (5E,6Z)-5-ethylidene-N',4-dimethyl-N-[1-(3-methylbut-3-enylamino)ethenyl]nona-2,6,8-trienimidamide (CID 129300941) is (5E,6Z)-5-ethylidene-N',4-dimethyl-N-[1-(3-methylbut-3-enylamino)ethenyl]nona-2,6,8-trienimidamide.
What is the SMILES notation for (5E,6Z)-5-ethylidene-N',4-dimethyl-N-[1-(3-methylbut-3-enylamino)ethenyl]nona-2,6,8-trienimidamide?
The canonical SMILES for (5E,6Z)-5-ethylidene-N',4-dimethyl-N-[1-(3-methylbut-3-enylamino)ethenyl]nona-2,6,8-trienimidamide is C=C/C=C\C(=C/C)C(C)C=C/C(=N/C)NC(=C)NCCC(=C)C.
What is the InChIKey of (5E,6Z)-5-ethylidene-N',4-dimethyl-N-[1-(3-methylbut-3-enylamino)ethenyl]nona-2,6,8-trienimidamide?
The InChIKey is SENHDSFUKPWABO-RJCLIFKFSA-N. The full InChI is InChI=1S/C20H31N3/c1-8-10-11-19(9-2)17(5)12-13-20(21-7)23-18(6)22-15-14-16(3)4/h8-13,17,22H,1,3,6,14-15H2,2,4-5,7H3,(H,21,23)/b11-10-,13-12?,19-9+.
What are the key properties of (5E,6Z)-5-ethylidene-N',4-dimethyl-N-[1-(3-methylbut-3-enylamino)ethenyl]nona-2,6,8-trienimidamide?
(5E,6Z)-5-ethylidene-N',4-dimethyl-N-[1-(3-methylbut-3-enylamino)ethenyl]nona-2,6,8-trienimidamide has a molecular weight of 313.49 g/mol, XLogP of 4.51, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6Z)-5-ethylidene-N',4-dimethyl-N-[1-(3-methylbut-3-enylamino)ethenyl]nona-2,6,8-trienimidamide is sourced from PubChem (CID 129300941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).