(2E,4E,6E)-N,N,3,6-tetramethylocta-2,4,6-trien-1-amine

C12H21N — CID 89059042

IUPAC(2E,4E,6E)-N,N,3,6-tetramethylocta-2,4,6-trien-1-amine
SMILESC/C=C(C)/C=C/C(C)=C/CN(C)C
InChIInChI=1S/C12H21N/c1-6-11(2)7-8-12(3)9-10-13(4)5/h6-9H,10H2,1-5H3/b8-7+,11-6+,12-9+
InChIKeyJTXBRGIIFVKJIS-FKFKELTFSA-N
MW179.31 g/mol
LogP3.02
Rot. Bonds4

About (2E,4E,6E)-N,N,3,6-tetramethylocta-2,4,6-trien-1-amine

(2E,4E,6E)-N,N,3,6-tetramethylocta-2,4,6-trien-1-amine (PubChem CID 89059042) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (2E,4E,6E)-N,N,3,6-tetramethylocta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4E,6E)-N,N,3,6-tetramethylocta-2,4,6-trien-1-amine
PubChem CID89059042
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(2E,4E,6E)-N,N,3,6-tetramethylocta-2,4,6-trien-1-amine
SMILESC/C=C(C)/C=C/C(C)=C/CN(C)C
InChIInChI=1S/C12H21N/c1-6-11(2)7-8-12(3)9-10-13(4)5/h6-9H,10H2,1-5H3/b8-7+,11-6+,12-9+
InChIKeyJTXBRGIIFVKJIS-FKFKELTFSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
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)-N,N,3,6-tetramethylocta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4E,6E)-N,N,3,6-tetramethylocta-2,4,6-trien-1-amine (CID 89059042) is (2E,4E,6E)-N,N,3,6-tetramethylocta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4E,6E)-N,N,3,6-tetramethylocta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4E,6E)-N,N,3,6-tetramethylocta-2,4,6-trien-1-amine is C/C=C(C)/C=C/C(C)=C/CN(C)C.
What is the InChIKey of (2E,4E,6E)-N,N,3,6-tetramethylocta-2,4,6-trien-1-amine?
The InChIKey is JTXBRGIIFVKJIS-FKFKELTFSA-N. The full InChI is InChI=1S/C12H21N/c1-6-11(2)7-8-12(3)9-10-13(4)5/h6-9H,10H2,1-5H3/b8-7+,11-6+,12-9+.
What are the key properties of (2E,4E,6E)-N,N,3,6-tetramethylocta-2,4,6-trien-1-amine?
(2E,4E,6E)-N,N,3,6-tetramethylocta-2,4,6-trien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-N,N,3,6-tetramethylocta-2,4,6-trien-1-amine is sourced from PubChem (CID 89059042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).