(3E)-3-fluoro-N-methylhexa-1,3-dien-2-amine

C7H12FN — CID 139341015

IUPAC(3E)-3-fluoro-N-methylhexa-1,3-dien-2-amine
SMILESC=C(NC)/C(F)=C\CC
InChIInChI=1S/C7H12FN/c1-4-5-7(8)6(2)9-3/h5,9H,2,4H2,1,3H3/b7-5+
InChIKeyAYENZESIFHBASU-FNORWQNLSA-N
MW129.18 g/mol
LogP1.98
Rot. Bonds3

About (3E)-3-fluoro-N-methylhexa-1,3-dien-2-amine

(3E)-3-fluoro-N-methylhexa-1,3-dien-2-amine (PubChem CID 139341015) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (3E)-3-fluoro-N-methylhexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-3-fluoro-N-methylhexa-1,3-dien-2-amine
PubChem CID139341015
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(3E)-3-fluoro-N-methylhexa-1,3-dien-2-amine
SMILESC=C(NC)/C(F)=C\CC
InChIInChI=1S/C7H12FN/c1-4-5-7(8)6(2)9-3/h5,9H,2,4H2,1,3H3/b7-5+
InChIKeyAYENZESIFHBASU-FNORWQNLSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-3-fluoro-N-methylhexa-1,3-dien-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

Related Compounds

(3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine
CID 67991642
4-fluoro-3-N-methylcyclohexa-1,3-diene-1,3-diamine
CID 89191347
(2E,4E)-3-fluorohepta-2,4-dien-4-amine
CID 89214767
3-fluoro-N-methylcyclohexa-1,5-dien-1-amine
CID 89291172
3-fluoro-N-methylcyclopenta-1,3-dien-1-amine
CID 117753829
4-fluoro-N-methylcyclopenta-1,4-dien-1-amine
CID 117753845
5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine
CID 129018806
(Z)-1,1,1-trifluoro-N-methylpent-2-en-2-amine
CID 129271894
(E)-N-(fluoromethyl)hex-3-en-3-amine
CID 129273358
5-fluoro-N,5-dimethylcyclohepta-1,3,6-trien-1-amine
CID 130272610
(3E)-3-fluoro-N-methylpenta-1,3-dien-2-amine
CID 130336732
7-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine
CID 132162665

Frequently Asked Questions

What is the IUPAC name of (3E)-3-fluoro-N-methylhexa-1,3-dien-2-amine?
The IUPAC name of (3E)-3-fluoro-N-methylhexa-1,3-dien-2-amine (CID 139341015) is (3E)-3-fluoro-N-methylhexa-1,3-dien-2-amine.
What is the SMILES notation for (3E)-3-fluoro-N-methylhexa-1,3-dien-2-amine?
The canonical SMILES for (3E)-3-fluoro-N-methylhexa-1,3-dien-2-amine is C=C(NC)/C(F)=C\CC.
What is the InChIKey of (3E)-3-fluoro-N-methylhexa-1,3-dien-2-amine?
The InChIKey is AYENZESIFHBASU-FNORWQNLSA-N. The full InChI is InChI=1S/C7H12FN/c1-4-5-7(8)6(2)9-3/h5,9H,2,4H2,1,3H3/b7-5+.
What are the key properties of (3E)-3-fluoro-N-methylhexa-1,3-dien-2-amine?
(3E)-3-fluoro-N-methylhexa-1,3-dien-2-amine has a molecular weight of 129.18 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-fluoro-N-methylhexa-1,3-dien-2-amine is sourced from PubChem (CID 139341015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).