N'-[(1E)-1-fluorobuta-1,3-dienyl]-N'-methylmethanediamine

C6H11FN2 — CID 146482081

IUPACN'-[(1E)-1-fluorobuta-1,3-dienyl]-N'-methylmethanediamine
SMILESC=C/C=C(/F)N(C)CN
InChIInChI=1S/C6H11FN2/c1-3-4-6(7)9(2)5-8/h3-4H,1,5,8H2,2H3/b6-4-
InChIKeyMHVUNINERYVYLF-XQRVVYSFSA-N
MW130.17 g/mol
LogP0.83
Rot. Bonds3

About N'-[(1E)-1-fluorobuta-1,3-dienyl]-N'-methylmethanediamine

N'-[(1E)-1-fluorobuta-1,3-dienyl]-N'-methylmethanediamine (PubChem CID 146482081) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is N'-[(1E)-1-fluorobuta-1,3-dienyl]-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-[(1E)-1-fluorobuta-1,3-dienyl]-N'-methylmethanediamine
PubChem CID146482081
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC NameN'-[(1E)-1-fluorobuta-1,3-dienyl]-N'-methylmethanediamine
SMILESC=C/C=C(/F)N(C)CN
InChIInChI=1S/C6H11FN2/c1-3-4-6(7)9(2)5-8/h3-4H,1,5,8H2,2H3/b6-4-
InChIKeyMHVUNINERYVYLF-XQRVVYSFSA-N
XLogP0.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(1E)-1-fluorobuta-1,3-dienyl]-N'-methylmethanediamine 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 N'-[(1E)-1-fluorobuta-1,3-dienyl]-N'-methylmethanediamine?
The IUPAC name of N'-[(1E)-1-fluorobuta-1,3-dienyl]-N'-methylmethanediamine (CID 146482081) is N'-[(1E)-1-fluorobuta-1,3-dienyl]-N'-methylmethanediamine.
What is the SMILES notation for N'-[(1E)-1-fluorobuta-1,3-dienyl]-N'-methylmethanediamine?
The canonical SMILES for N'-[(1E)-1-fluorobuta-1,3-dienyl]-N'-methylmethanediamine is C=C/C=C(/F)N(C)CN.
What is the InChIKey of N'-[(1E)-1-fluorobuta-1,3-dienyl]-N'-methylmethanediamine?
The InChIKey is MHVUNINERYVYLF-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H11FN2/c1-3-4-6(7)9(2)5-8/h3-4H,1,5,8H2,2H3/b6-4-.
What are the key properties of N'-[(1E)-1-fluorobuta-1,3-dienyl]-N'-methylmethanediamine?
N'-[(1E)-1-fluorobuta-1,3-dienyl]-N'-methylmethanediamine has a molecular weight of 130.17 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1E)-1-fluorobuta-1,3-dienyl]-N'-methylmethanediamine is sourced from PubChem (CID 146482081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).