(2E,4Z)-2-ethenyl-N,N-dimethylhexa-2,4-dien-1-amine;propane

C13H25N — CID 143349261

IUPAC(2E,4Z)-2-ethenyl-N,N-dimethylhexa-2,4-dien-1-amine;propane
SMILESC=C/C(=C\C=C/C)CN(C)C.CCC
InChIInChI=1S/C10H17N.C3H8/c1-5-7-8-10(6-2)9-11(3)4;1-3-2/h5-8H,2,9H2,1,3-4H3;3H2,1-2H3/b7-5-,10-8+;
InChIKeyFJGAXSJZGOVAKK-PJVFXYKKSA-N
MW195.35 g/mol
LogP3.65
Rot. Bonds4

About (2E,4Z)-2-ethenyl-N,N-dimethylhexa-2,4-dien-1-amine;propane

(2E,4Z)-2-ethenyl-N,N-dimethylhexa-2,4-dien-1-amine;propane (PubChem CID 143349261) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (2E,4Z)-2-ethenyl-N,N-dimethylhexa-2,4-dien-1-amine;propane.

Molecular Properties

Compound Name(2E,4Z)-2-ethenyl-N,N-dimethylhexa-2,4-dien-1-amine;propane
PubChem CID143349261
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(2E,4Z)-2-ethenyl-N,N-dimethylhexa-2,4-dien-1-amine;propane
SMILESC=C/C(=C\C=C/C)CN(C)C.CCC
InChIInChI=1S/C10H17N.C3H8/c1-5-7-8-10(6-2)9-11(3)4;1-3-2/h5-8H,2,9H2,1,3-4H3;3H2,1-2H3/b7-5-,10-8+;
InChIKeyFJGAXSJZGOVAKK-PJVFXYKKSA-N
XLogP3.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.65
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)-2-ethenyl-N,N-dimethylhexa-2,4-dien-1-amine;propane?
The IUPAC name of (2E,4Z)-2-ethenyl-N,N-dimethylhexa-2,4-dien-1-amine;propane (CID 143349261) is (2E,4Z)-2-ethenyl-N,N-dimethylhexa-2,4-dien-1-amine;propane.
What is the SMILES notation for (2E,4Z)-2-ethenyl-N,N-dimethylhexa-2,4-dien-1-amine;propane?
The canonical SMILES for (2E,4Z)-2-ethenyl-N,N-dimethylhexa-2,4-dien-1-amine;propane is C=C/C(=C\C=C/C)CN(C)C.CCC.
What is the InChIKey of (2E,4Z)-2-ethenyl-N,N-dimethylhexa-2,4-dien-1-amine;propane?
The InChIKey is FJGAXSJZGOVAKK-PJVFXYKKSA-N. The full InChI is InChI=1S/C10H17N.C3H8/c1-5-7-8-10(6-2)9-11(3)4;1-3-2/h5-8H,2,9H2,1,3-4H3;3H2,1-2H3/b7-5-,10-8+;.
What are the key properties of (2E,4Z)-2-ethenyl-N,N-dimethylhexa-2,4-dien-1-amine;propane?
(2E,4Z)-2-ethenyl-N,N-dimethylhexa-2,4-dien-1-amine;propane has a molecular weight of 195.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-ethenyl-N,N-dimethylhexa-2,4-dien-1-amine;propane is sourced from PubChem (CID 143349261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).