(E,2E)-N-but-3-enyl-4-methyl-2-[(methylideneamino)methylidene]-N-(2-methylpropyl)hex-3-en-1-amine

C17H30N2 — CID 166785773

IUPAC(E,2E)-N-but-3-enyl-4-methyl-2-[(methylideneamino)methylidene]-N-(2-methylpropyl)hex-3-en-1-amine
SMILESC=CCCN(CC(/C=C(\C)CC)=C/N=C)CC(C)C
InChIInChI=1S/C17H30N2/c1-7-9-10-19(13-15(3)4)14-17(12-18-6)11-16(5)8-2/h7,11-12,15H,1,6,8-10,13-14H2,2-5H3/b16-11+,17-12+
InChIKeyGRHNUQREQOKUGC-MAEUFBSDSA-N
MW262.44 g/mol
LogP4.46
Rot. Bonds10

About (E,2E)-N-but-3-enyl-4-methyl-2-[(methylideneamino)methylidene]-N-(2-methylpropyl)hex-3-en-1-amine

(E,2E)-N-but-3-enyl-4-methyl-2-[(methylideneamino)methylidene]-N-(2-methylpropyl)hex-3-en-1-amine (PubChem CID 166785773) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (E,2E)-N-but-3-enyl-4-methyl-2-[(methylideneamino)methylidene]-N-(2-methylpropyl)hex-3-en-1-amine.

Molecular Properties

Compound Name(E,2E)-N-but-3-enyl-4-methyl-2-[(methylideneamino)methylidene]-N-(2-methylpropyl)hex-3-en-1-amine
PubChem CID166785773
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name(E,2E)-N-but-3-enyl-4-methyl-2-[(methylideneamino)methylidene]-N-(2-methylpropyl)hex-3-en-1-amine
SMILESC=CCCN(CC(/C=C(\C)CC)=C/N=C)CC(C)C
InChIInChI=1S/C17H30N2/c1-7-9-10-19(13-15(3)4)14-17(12-18-6)11-16(5)8-2/h7,11-12,15H,1,6,8-10,13-14H2,2-5H3/b16-11+,17-12+
InChIKeyGRHNUQREQOKUGC-MAEUFBSDSA-N
XLogP4.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (E,2E)-N-but-3-enyl-4-methyl-2-[(methylideneamino)methylidene]-N-(2-methylpropyl)hex-3-en-1-amine?
The IUPAC name of (E,2E)-N-but-3-enyl-4-methyl-2-[(methylideneamino)methylidene]-N-(2-methylpropyl)hex-3-en-1-amine (CID 166785773) is (E,2E)-N-but-3-enyl-4-methyl-2-[(methylideneamino)methylidene]-N-(2-methylpropyl)hex-3-en-1-amine.
What is the SMILES notation for (E,2E)-N-but-3-enyl-4-methyl-2-[(methylideneamino)methylidene]-N-(2-methylpropyl)hex-3-en-1-amine?
The canonical SMILES for (E,2E)-N-but-3-enyl-4-methyl-2-[(methylideneamino)methylidene]-N-(2-methylpropyl)hex-3-en-1-amine is C=CCCN(CC(/C=C(\C)CC)=C/N=C)CC(C)C.
What is the InChIKey of (E,2E)-N-but-3-enyl-4-methyl-2-[(methylideneamino)methylidene]-N-(2-methylpropyl)hex-3-en-1-amine?
The InChIKey is GRHNUQREQOKUGC-MAEUFBSDSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-9-10-19(13-15(3)4)14-17(12-18-6)11-16(5)8-2/h7,11-12,15H,1,6,8-10,13-14H2,2-5H3/b16-11+,17-12+.
What are the key properties of (E,2E)-N-but-3-enyl-4-methyl-2-[(methylideneamino)methylidene]-N-(2-methylpropyl)hex-3-en-1-amine?
(E,2E)-N-but-3-enyl-4-methyl-2-[(methylideneamino)methylidene]-N-(2-methylpropyl)hex-3-en-1-amine has a molecular weight of 262.44 g/mol, XLogP of 4.46, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-N-but-3-enyl-4-methyl-2-[(methylideneamino)methylidene]-N-(2-methylpropyl)hex-3-en-1-amine is sourced from PubChem (CID 166785773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).