(2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trien-1-amine

C16H29N — CID 6433497

IUPAC(2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trien-1-amine
SMILESCNC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H29N/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-17-5/h8,10,12,17H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+
InChIKeyZPEMKPFPWVTBPX-NCZFFCEISA-N
MW235.41 g/mol
LogP4.62
Rot. Bonds8

About (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trien-1-amine

(2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trien-1-amine (PubChem CID 6433497) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trien-1-amine.

Molecular Properties

Compound Name(2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trien-1-amine
PubChem CID6433497
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trien-1-amine
SMILESCNC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H29N/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-17-5/h8,10,12,17H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+
InChIKeyZPEMKPFPWVTBPX-NCZFFCEISA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trien-1-amine?
The IUPAC name of (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trien-1-amine (CID 6433497) is (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trien-1-amine.
What is the SMILES notation for (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trien-1-amine?
The canonical SMILES for (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trien-1-amine is CNC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trien-1-amine?
The InChIKey is ZPEMKPFPWVTBPX-NCZFFCEISA-N. The full InChI is InChI=1S/C16H29N/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-17-5/h8,10,12,17H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+.
What are the key properties of (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trien-1-amine?
(2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trien-1-amine has a molecular weight of 235.41 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trien-1-amine is sourced from PubChem (CID 6433497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).