(4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine

C12H20FN — CID 143173582

IUPAC(4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
SMILESC=C/C=C(/F)C(CCN(C)C)=C(C)C
InChIInChI=1S/C12H20FN/c1-6-7-12(13)11(10(2)3)8-9-14(4)5/h6-7H,1,8-9H2,2-5H3/b12-7+
InChIKeyRDDXLUPKJOCCRD-KPKJPENVSA-N
MW197.30 g/mol
LogP3.31
Rot. Bonds5

About (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine

(4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine (PubChem CID 143173582) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
PubChem CID143173582
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
SMILESC=C/C=C(/F)C(CCN(C)C)=C(C)C
InChIInChI=1S/C12H20FN/c1-6-7-12(13)11(10(2)3)8-9-14(4)5/h6-7H,1,8-9H2,2-5H3/b12-7+
InChIKeyRDDXLUPKJOCCRD-KPKJPENVSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-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 (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine?
The IUPAC name of (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine (CID 143173582) is (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine.
What is the SMILES notation for (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine?
The canonical SMILES for (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine is C=C/C=C(/F)C(CCN(C)C)=C(C)C.
What is the InChIKey of (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine?
The InChIKey is RDDXLUPKJOCCRD-KPKJPENVSA-N. The full InChI is InChI=1S/C12H20FN/c1-6-7-12(13)11(10(2)3)8-9-14(4)5/h6-7H,1,8-9H2,2-5H3/b12-7+.
What are the key properties of (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine?
(4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine has a molecular weight of 197.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine is sourced from PubChem (CID 143173582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).