(2E,4E)-2-ethenyl-N,N,5-trimethylhepta-2,4,6-trien-1-amine

C12H19N — CID 135235484

IUPAC(2E,4E)-2-ethenyl-N,N,5-trimethylhepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C/C=C(\C=C)CN(C)C
InChIInChI=1S/C12H19N/c1-6-11(3)8-9-12(7-2)10-13(4)5/h6-9H,1-2,10H2,3-5H3/b11-8+,12-9+
InChIKeyYKBPCUJYCGTIRB-HZOWPXDZSA-N
MW177.29 g/mol
LogP2.79
Rot. Bonds5

About (2E,4E)-2-ethenyl-N,N,5-trimethylhepta-2,4,6-trien-1-amine

(2E,4E)-2-ethenyl-N,N,5-trimethylhepta-2,4,6-trien-1-amine (PubChem CID 135235484) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2E,4E)-2-ethenyl-N,N,5-trimethylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4E)-2-ethenyl-N,N,5-trimethylhepta-2,4,6-trien-1-amine
PubChem CID135235484
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2E,4E)-2-ethenyl-N,N,5-trimethylhepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C/C=C(\C=C)CN(C)C
InChIInChI=1S/C12H19N/c1-6-11(3)8-9-12(7-2)10-13(4)5/h6-9H,1-2,10H2,3-5H3/b11-8+,12-9+
InChIKeyYKBPCUJYCGTIRB-HZOWPXDZSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.79
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)-2-ethenyl-N,N,5-trimethylhepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4E)-2-ethenyl-N,N,5-trimethylhepta-2,4,6-trien-1-amine (CID 135235484) is (2E,4E)-2-ethenyl-N,N,5-trimethylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4E)-2-ethenyl-N,N,5-trimethylhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4E)-2-ethenyl-N,N,5-trimethylhepta-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)-2-ethenyl-N,N,5-trimethylhepta-2,4,6-trien-1-amine?
The InChIKey is YKBPCUJYCGTIRB-HZOWPXDZSA-N. The full InChI is InChI=1S/C12H19N/c1-6-11(3)8-9-12(7-2)10-13(4)5/h6-9H,1-2,10H2,3-5H3/b11-8+,12-9+.
What are the key properties of (2E,4E)-2-ethenyl-N,N,5-trimethylhepta-2,4,6-trien-1-amine?
(2E,4E)-2-ethenyl-N,N,5-trimethylhepta-2,4,6-trien-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-ethenyl-N,N,5-trimethylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 135235484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).