N-[(3E)-5-aminohexa-3,5-dien-3-yl]-3-fluoro-N-methylpropanamide

C10H17FN2O — CID 156548246

IUPACN-[(3E)-5-aminohexa-3,5-dien-3-yl]-3-fluoro-N-methylpropanamide
SMILESC=C(N)/C=C(\CC)N(C)C(=O)CCF
InChIInChI=1S/C10H17FN2O/c1-4-9(7-8(2)12)13(3)10(14)5-6-11/h7H,2,4-6,12H2,1,3H3/b9-7+
InChIKeyISQDRMWAYANNJK-VQHVLOKHSA-N
MW200.26 g/mol
LogP1.57
Rot. Bonds5

About N-[(3E)-5-aminohexa-3,5-dien-3-yl]-3-fluoro-N-methylpropanamide

N-[(3E)-5-aminohexa-3,5-dien-3-yl]-3-fluoro-N-methylpropanamide (PubChem CID 156548246) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is N-[(3E)-5-aminohexa-3,5-dien-3-yl]-3-fluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3E)-5-aminohexa-3,5-dien-3-yl]-3-fluoro-N-methylpropanamide
PubChem CID156548246
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC NameN-[(3E)-5-aminohexa-3,5-dien-3-yl]-3-fluoro-N-methylpropanamide
SMILESC=C(N)/C=C(\CC)N(C)C(=O)CCF
InChIInChI=1S/C10H17FN2O/c1-4-9(7-8(2)12)13(3)10(14)5-6-11/h7H,2,4-6,12H2,1,3H3/b9-7+
InChIKeyISQDRMWAYANNJK-VQHVLOKHSA-N
XLogP1.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3E)-5-aminohexa-3,5-dien-3-yl]-3-fluoro-N-methylpropanamide 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

N-[(3E)-5-(1-aminoethylideneamino)hexa-3,5-dien-3-yl]-3-fluoro-N-methylpropanamide
CID 156548249
(3Z,5E)-6-(propanoylamino)-N,N-di(propan-2-yl)octa-3,5,7-trienamide
CID 89214883
N-(5-amino-5-methylcyclohepta-1,3,6-trien-1-yl)-N-methylacetamide
CID 123298040
N-[(2Z,4E)-1-(dimethylamino)hepta-2,4-dien-4-yl]acetamide
CID 129313291
N-[(3E,5E)-6-(dimethylamino)-2-methylhepta-3,5-dien-3-yl]acetamide
CID 129313292
1-(4-amino-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 137435247
N-[(3E,5E)-4-ethenyl-6-(methylamino)octa-3,5,7-trien-3-yl]-N-methylacetamide
CID 167260538
4-Amino-6-ethyl-1-methylpyridin-2-one
CID 105429773
3-(dimethylamino)-N-ethylcyclopenta-2,4-diene-1-carboxamide
CID 143838215
N-[(3E,5Z)-7-[methyl(propyl)amino]octa-3,5-dien-4-yl]acetamide
CID 144144319
N-[2-methyl-5-(methylamino)hexa-1,3,5-trien-3-yl]propanamide
CID 177002203

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-5-aminohexa-3,5-dien-3-yl]-3-fluoro-N-methylpropanamide?
The IUPAC name of N-[(3E)-5-aminohexa-3,5-dien-3-yl]-3-fluoro-N-methylpropanamide (CID 156548246) is N-[(3E)-5-aminohexa-3,5-dien-3-yl]-3-fluoro-N-methylpropanamide.
What is the SMILES notation for N-[(3E)-5-aminohexa-3,5-dien-3-yl]-3-fluoro-N-methylpropanamide?
The canonical SMILES for N-[(3E)-5-aminohexa-3,5-dien-3-yl]-3-fluoro-N-methylpropanamide is C=C(N)/C=C(\CC)N(C)C(=O)CCF.
What is the InChIKey of N-[(3E)-5-aminohexa-3,5-dien-3-yl]-3-fluoro-N-methylpropanamide?
The InChIKey is ISQDRMWAYANNJK-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-4-9(7-8(2)12)13(3)10(14)5-6-11/h7H,2,4-6,12H2,1,3H3/b9-7+.
What are the key properties of N-[(3E)-5-aminohexa-3,5-dien-3-yl]-3-fluoro-N-methylpropanamide?
N-[(3E)-5-aminohexa-3,5-dien-3-yl]-3-fluoro-N-methylpropanamide has a molecular weight of 200.26 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-5-aminohexa-3,5-dien-3-yl]-3-fluoro-N-methylpropanamide is sourced from PubChem (CID 156548246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).