(2Z,4E,6Z)-6-[(Z)-but-2-en-2-yl]-3,4-dimethylnona-2,4,6-trienimidamide;ethane

C17H30N2 — CID 163248472

IUPAC(2Z,4E,6Z)-6-[(Z)-but-2-en-2-yl]-3,4-dimethylnona-2,4,6-trienimidamide;ethane
SMILESCC.[H]/N=C(N)/C=C(C)\C(C)=C\C(=C\CC)\C(C)=C/C
InChIInChI=1S/C15H24N2.C2H6/c1-6-8-14(11(3)7-2)9-12(4)13(5)10-15(16)17;1-2/h7-10H,6H2,1-5H3,(H3,16,17);1-2H3/b11-7-,12-9+,13-10-,14-8-;
InChIKeyDQJPIGBJKCWNTC-GZIUWKDKSA-N
MW262.44 g/mol
LogP5.14
Rot. Bonds5

About (2Z,4E,6Z)-6-[(Z)-but-2-en-2-yl]-3,4-dimethylnona-2,4,6-trienimidamide;ethane

(2Z,4E,6Z)-6-[(Z)-but-2-en-2-yl]-3,4-dimethylnona-2,4,6-trienimidamide;ethane (PubChem CID 163248472) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (2Z,4E,6Z)-6-[(Z)-but-2-en-2-yl]-3,4-dimethylnona-2,4,6-trienimidamide;ethane.

Molecular Properties

Compound Name(2Z,4E,6Z)-6-[(Z)-but-2-en-2-yl]-3,4-dimethylnona-2,4,6-trienimidamide;ethane
PubChem CID163248472
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name(2Z,4E,6Z)-6-[(Z)-but-2-en-2-yl]-3,4-dimethylnona-2,4,6-trienimidamide;ethane
SMILESCC.[H]/N=C(N)/C=C(C)\C(C)=C\C(=C\CC)\C(C)=C/C
InChIInChI=1S/C15H24N2.C2H6/c1-6-8-14(11(3)7-2)9-12(4)13(5)10-15(16)17;1-2/h7-10H,6H2,1-5H3,(H3,16,17);1-2H3/b11-7-,12-9+,13-10-,14-8-;
InChIKeyDQJPIGBJKCWNTC-GZIUWKDKSA-N
XLogP5.14
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.14
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6Z)-6-[(Z)-but-2-en-2-yl]-3,4-dimethylnona-2,4,6-trienimidamide;ethane?
The IUPAC name of (2Z,4E,6Z)-6-[(Z)-but-2-en-2-yl]-3,4-dimethylnona-2,4,6-trienimidamide;ethane (CID 163248472) is (2Z,4E,6Z)-6-[(Z)-but-2-en-2-yl]-3,4-dimethylnona-2,4,6-trienimidamide;ethane.
What is the SMILES notation for (2Z,4E,6Z)-6-[(Z)-but-2-en-2-yl]-3,4-dimethylnona-2,4,6-trienimidamide;ethane?
The canonical SMILES for (2Z,4E,6Z)-6-[(Z)-but-2-en-2-yl]-3,4-dimethylnona-2,4,6-trienimidamide;ethane is CC.[H]/N=C(N)/C=C(C)\C(C)=C\C(=C\CC)\C(C)=C/C.
What is the InChIKey of (2Z,4E,6Z)-6-[(Z)-but-2-en-2-yl]-3,4-dimethylnona-2,4,6-trienimidamide;ethane?
The InChIKey is DQJPIGBJKCWNTC-GZIUWKDKSA-N. The full InChI is InChI=1S/C15H24N2.C2H6/c1-6-8-14(11(3)7-2)9-12(4)13(5)10-15(16)17;1-2/h7-10H,6H2,1-5H3,(H3,16,17);1-2H3/b11-7-,12-9+,13-10-,14-8-;.
What are the key properties of (2Z,4E,6Z)-6-[(Z)-but-2-en-2-yl]-3,4-dimethylnona-2,4,6-trienimidamide;ethane?
(2Z,4E,6Z)-6-[(Z)-but-2-en-2-yl]-3,4-dimethylnona-2,4,6-trienimidamide;ethane has a molecular weight of 262.44 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z)-6-[(Z)-but-2-en-2-yl]-3,4-dimethylnona-2,4,6-trienimidamide;ethane is sourced from PubChem (CID 163248472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).