(2Z,4Z)-3-fluoro-N,N-dimethylhepta-2,4,6-trien-2-amine

C9H14FN — CID 155197849

IUPAC(2Z,4Z)-3-fluoro-N,N-dimethylhepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(F)=C(/C)N(C)C
InChIInChI=1S/C9H14FN/c1-5-6-7-9(10)8(2)11(3)4/h5-7H,1H2,2-4H3/b7-6-,9-8-
InChIKeyGKMXSVPXSONGQT-JPDBVBESSA-N
MW155.22 g/mol
LogP2.49
Rot. Bonds3

About (2Z,4Z)-3-fluoro-N,N-dimethylhepta-2,4,6-trien-2-amine

(2Z,4Z)-3-fluoro-N,N-dimethylhepta-2,4,6-trien-2-amine (PubChem CID 155197849) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (2Z,4Z)-3-fluoro-N,N-dimethylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-3-fluoro-N,N-dimethylhepta-2,4,6-trien-2-amine
PubChem CID155197849
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(2Z,4Z)-3-fluoro-N,N-dimethylhepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(F)=C(/C)N(C)C
InChIInChI=1S/C9H14FN/c1-5-6-7-9(10)8(2)11(3)4/h5-7H,1H2,2-4H3/b7-6-,9-8-
InChIKeyGKMXSVPXSONGQT-JPDBVBESSA-N
XLogP2.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-3-fluoro-N,N-dimethylhepta-2,4,6-trien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-fluoro-N,N-dimethylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4Z)-3-fluoro-N,N-dimethylhepta-2,4,6-trien-2-amine (CID 155197849) is (2Z,4Z)-3-fluoro-N,N-dimethylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4Z)-3-fluoro-N,N-dimethylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4Z)-3-fluoro-N,N-dimethylhepta-2,4,6-trien-2-amine is C=C/C=C\C(F)=C(/C)N(C)C.
What is the InChIKey of (2Z,4Z)-3-fluoro-N,N-dimethylhepta-2,4,6-trien-2-amine?
The InChIKey is GKMXSVPXSONGQT-JPDBVBESSA-N. The full InChI is InChI=1S/C9H14FN/c1-5-6-7-9(10)8(2)11(3)4/h5-7H,1H2,2-4H3/b7-6-,9-8-.
What are the key properties of (2Z,4Z)-3-fluoro-N,N-dimethylhepta-2,4,6-trien-2-amine?
(2Z,4Z)-3-fluoro-N,N-dimethylhepta-2,4,6-trien-2-amine has a molecular weight of 155.22 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-fluoro-N,N-dimethylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 155197849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).