(2E,4Z)-N,N,2,5-tetramethylhepta-2,4,6-trien-1-amine

C11H19N — CID 135235495

IUPAC(2E,4Z)-N,N,2,5-tetramethylhepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C\C=C(/C)CN(C)C
InChIInChI=1S/C11H19N/c1-6-10(2)7-8-11(3)9-12(4)5/h6-8H,1,9H2,2-5H3/b10-7-,11-8+
InChIKeyVBVGAADIWVHTAK-BDLVGCLISA-N
MW165.28 g/mol
LogP2.63
Rot. Bonds4

About (2E,4Z)-N,N,2,5-tetramethylhepta-2,4,6-trien-1-amine

(2E,4Z)-N,N,2,5-tetramethylhepta-2,4,6-trien-1-amine (PubChem CID 135235495) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (2E,4Z)-N,N,2,5-tetramethylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-N,N,2,5-tetramethylhepta-2,4,6-trien-1-amine
PubChem CID135235495
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(2E,4Z)-N,N,2,5-tetramethylhepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C\C=C(/C)CN(C)C
InChIInChI=1S/C11H19N/c1-6-10(2)7-8-11(3)9-12(4)5/h6-8H,1,9H2,2-5H3/b10-7-,11-8+
InChIKeyVBVGAADIWVHTAK-BDLVGCLISA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.63
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,4Z)-N,N,2,5-tetramethylhepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4Z)-N,N,2,5-tetramethylhepta-2,4,6-trien-1-amine (CID 135235495) is (2E,4Z)-N,N,2,5-tetramethylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4Z)-N,N,2,5-tetramethylhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4Z)-N,N,2,5-tetramethylhepta-2,4,6-trien-1-amine is C=C/C(C)=C\C=C(/C)CN(C)C.
What is the InChIKey of (2E,4Z)-N,N,2,5-tetramethylhepta-2,4,6-trien-1-amine?
The InChIKey is VBVGAADIWVHTAK-BDLVGCLISA-N. The full InChI is InChI=1S/C11H19N/c1-6-10(2)7-8-11(3)9-12(4)5/h6-8H,1,9H2,2-5H3/b10-7-,11-8+.
What are the key properties of (2E,4Z)-N,N,2,5-tetramethylhepta-2,4,6-trien-1-amine?
(2E,4Z)-N,N,2,5-tetramethylhepta-2,4,6-trien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,N,2,5-tetramethylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 135235495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).