(3E,5Z)-N-fluoro-N-methylhepta-1,3,5-trien-4-amine

C8H12FN — CID 145363046

IUPAC(3E,5Z)-N-fluoro-N-methylhepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C/C)N(C)F
InChIInChI=1S/C8H12FN/c1-4-6-8(7-5-2)10(3)9/h4-7H,1H2,2-3H3/b7-5-,8-6+
InChIKeyLFYHFXIDAXMOBG-CGXWXWIYSA-N
MW141.19 g/mol
LogP2.45
Rot. Bonds3

About (3E,5Z)-N-fluoro-N-methylhepta-1,3,5-trien-4-amine

(3E,5Z)-N-fluoro-N-methylhepta-1,3,5-trien-4-amine (PubChem CID 145363046) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (3E,5Z)-N-fluoro-N-methylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-N-fluoro-N-methylhepta-1,3,5-trien-4-amine
PubChem CID145363046
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(3E,5Z)-N-fluoro-N-methylhepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C/C)N(C)F
InChIInChI=1S/C8H12FN/c1-4-6-8(7-5-2)10(3)9/h4-7H,1H2,2-3H3/b7-5-,8-6+
InChIKeyLFYHFXIDAXMOBG-CGXWXWIYSA-N
XLogP2.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5Z)-N-fluoro-N-methylhepta-1,3,5-trien-4-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

[p-(Dimethylamino)phenyl]lithium
CID 83217
Lithium 2-(dimethylamino)benzen-1-ide
CID 12620685
3-Dimethylaminophenylsodium
CID 137350226
3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine
CID 123814892
5-fluoro-N,N-dimethylhexa-2,4-dien-2-amine
CID 123986678
(3E,5Z)-N-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
CID 130197563
(3E,5Z)-N-fluoro-N-methylocta-1,3,5-trien-3-amine
CID 141779060
2-Fluoro-1-methyl-6-methylidenepyridine
CID 142198451
(3E)-5-fluoro-N,N-dimethylhexa-1,3,5-trien-3-amine
CID 145466323
(2Z,4Z)-3-fluoro-N,N-dimethylhepta-2,4,6-trien-2-amine
CID 155197849
(3Z,5E)-6-fluoro-N,N-dimethylhepta-1,3,5-trien-2-amine
CID 156542875
(3E)-N-ethenyl-2-fluoro-N-methylhexa-1,3,5-trien-3-amine
CID 166785119

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-fluoro-N-methylhepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5Z)-N-fluoro-N-methylhepta-1,3,5-trien-4-amine (CID 145363046) is (3E,5Z)-N-fluoro-N-methylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5Z)-N-fluoro-N-methylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5Z)-N-fluoro-N-methylhepta-1,3,5-trien-4-amine is C=C/C=C(\C=C/C)N(C)F.
What is the InChIKey of (3E,5Z)-N-fluoro-N-methylhepta-1,3,5-trien-4-amine?
The InChIKey is LFYHFXIDAXMOBG-CGXWXWIYSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-6-8(7-5-2)10(3)9/h4-7H,1H2,2-3H3/b7-5-,8-6+.
What are the key properties of (3E,5Z)-N-fluoro-N-methylhepta-1,3,5-trien-4-amine?
(3E,5Z)-N-fluoro-N-methylhepta-1,3,5-trien-4-amine has a molecular weight of 141.19 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-fluoro-N-methylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 145363046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).