N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine

C12H18FN — CID 134466184

IUPACN-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine
SMILESCC1=CC=C(NCC/C=C\C(C)F)C1
InChIInChI=1S/C12H18FN/c1-10-6-7-12(9-10)14-8-4-3-5-11(2)13/h3,5-7,11,14H,4,8-9H2,1-2H3/b5-3-
InChIKeyHHGGZURGORVUIJ-HYXAFXHYSA-N
MW195.28 g/mol
LogP3.11
Rot. Bonds5

About N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine

N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine (PubChem CID 134466184) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound NameN-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine
PubChem CID134466184
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC NameN-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine
SMILESCC1=CC=C(NCC/C=C\C(C)F)C1
InChIInChI=1S/C12H18FN/c1-10-6-7-12(9-10)14-8-4-3-5-11(2)13/h3,5-7,11,14H,4,8-9H2,1-2H3/b5-3-
InChIKeyHHGGZURGORVUIJ-HYXAFXHYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-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 N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine?
The IUPAC name of N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine (CID 134466184) is N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine.
What is the SMILES notation for N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine?
The canonical SMILES for N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine is CC1=CC=C(NCC/C=C\C(C)F)C1.
What is the InChIKey of N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine?
The InChIKey is HHGGZURGORVUIJ-HYXAFXHYSA-N. The full InChI is InChI=1S/C12H18FN/c1-10-6-7-12(9-10)14-8-4-3-5-11(2)13/h3,5-7,11,14H,4,8-9H2,1-2H3/b5-3-.
What are the key properties of N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine?
N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine has a molecular weight of 195.28 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 134466184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).