(2E,4E,6E)-2-[(Z)-but-2-enylidene]-4,7,8,8-tetramethyl-3-methylidene-N-(2-propylpentyl)nona-4,6-dien-1-amine

C26H45N — CID 130371881

IUPAC(2E,4E,6E)-2-[(Z)-but-2-enylidene]-4,7,8,8-tetramethyl-3-methylidene-N-(2-propylpentyl)nona-4,6-dien-1-amine
SMILESC=C(/C(C)=C/C=C(\C)C(C)(C)C)/C(=C\C=C/C)CNCC(CCC)CCC
InChIInChI=1S/C26H45N/c1-10-13-16-25(20-27-19-24(14-11-2)15-12-3)23(6)21(4)17-18-22(5)26(7,8)9/h10,13,16-18,24,27H,6,11-12,14-15,19-20H2,1-5,7-9H3/b13-10-,21-17+,22-18+,25-16-
InChIKeyNUWIPNDGOIAWKL-KMDLHSKVSA-N
MW371.65 g/mol
LogP7.79
Rot. Bonds12

About (2E,4E,6E)-2-[(Z)-but-2-enylidene]-4,7,8,8-tetramethyl-3-methylidene-N-(2-propylpentyl)nona-4,6-dien-1-amine

(2E,4E,6E)-2-[(Z)-but-2-enylidene]-4,7,8,8-tetramethyl-3-methylidene-N-(2-propylpentyl)nona-4,6-dien-1-amine (PubChem CID 130371881) has the molecular formula C26H45N and a molecular weight of 371.65 g/mol. Its IUPAC name is (2E,4E,6E)-2-[(Z)-but-2-enylidene]-4,7,8,8-tetramethyl-3-methylidene-N-(2-propylpentyl)nona-4,6-dien-1-amine.

Molecular Properties

Compound Name(2E,4E,6E)-2-[(Z)-but-2-enylidene]-4,7,8,8-tetramethyl-3-methylidene-N-(2-propylpentyl)nona-4,6-dien-1-amine
PubChem CID130371881
Molecular FormulaC26H45N
Molecular Weight371.65 g/mol
Exact Mass371.36
IUPAC Name(2E,4E,6E)-2-[(Z)-but-2-enylidene]-4,7,8,8-tetramethyl-3-methylidene-N-(2-propylpentyl)nona-4,6-dien-1-amine
SMILESC=C(/C(C)=C/C=C(\C)C(C)(C)C)/C(=C\C=C/C)CNCC(CCC)CCC
InChIInChI=1S/C26H45N/c1-10-13-16-25(20-27-19-24(14-11-2)15-12-3)23(6)21(4)17-18-22(5)26(7,8)9/h10,13,16-18,24,27H,6,11-12,14-15,19-20H2,1-5,7-9H3/b13-10-,21-17+,22-18+,25-16-
InChIKeyNUWIPNDGOIAWKL-KMDLHSKVSA-N
XLogP7.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.65
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-2-[(Z)-but-2-enylidene]-4,7,8,8-tetramethyl-3-methylidene-N-(2-propylpentyl)nona-4,6-dien-1-amine?
The IUPAC name of (2E,4E,6E)-2-[(Z)-but-2-enylidene]-4,7,8,8-tetramethyl-3-methylidene-N-(2-propylpentyl)nona-4,6-dien-1-amine (CID 130371881) is (2E,4E,6E)-2-[(Z)-but-2-enylidene]-4,7,8,8-tetramethyl-3-methylidene-N-(2-propylpentyl)nona-4,6-dien-1-amine.
What is the SMILES notation for (2E,4E,6E)-2-[(Z)-but-2-enylidene]-4,7,8,8-tetramethyl-3-methylidene-N-(2-propylpentyl)nona-4,6-dien-1-amine?
The canonical SMILES for (2E,4E,6E)-2-[(Z)-but-2-enylidene]-4,7,8,8-tetramethyl-3-methylidene-N-(2-propylpentyl)nona-4,6-dien-1-amine is C=C(/C(C)=C/C=C(\C)C(C)(C)C)/C(=C\C=C/C)CNCC(CCC)CCC.
What is the InChIKey of (2E,4E,6E)-2-[(Z)-but-2-enylidene]-4,7,8,8-tetramethyl-3-methylidene-N-(2-propylpentyl)nona-4,6-dien-1-amine?
The InChIKey is NUWIPNDGOIAWKL-KMDLHSKVSA-N. The full InChI is InChI=1S/C26H45N/c1-10-13-16-25(20-27-19-24(14-11-2)15-12-3)23(6)21(4)17-18-22(5)26(7,8)9/h10,13,16-18,24,27H,6,11-12,14-15,19-20H2,1-5,7-9H3/b13-10-,21-17+,22-18+,25-16-.
What are the key properties of (2E,4E,6E)-2-[(Z)-but-2-enylidene]-4,7,8,8-tetramethyl-3-methylidene-N-(2-propylpentyl)nona-4,6-dien-1-amine?
(2E,4E,6E)-2-[(Z)-but-2-enylidene]-4,7,8,8-tetramethyl-3-methylidene-N-(2-propylpentyl)nona-4,6-dien-1-amine has a molecular weight of 371.65 g/mol, XLogP of 7.79, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-2-[(Z)-but-2-enylidene]-4,7,8,8-tetramethyl-3-methylidene-N-(2-propylpentyl)nona-4,6-dien-1-amine is sourced from PubChem (CID 130371881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).