(4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium

C12H23FN+ — CID 123839803

IUPAC(4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium
SMILESCCC[N+](C)(C)C1CC=C(F)CC1C
InChIInChI=1S/C12H23FN/c1-5-8-14(3,4)12-7-6-11(13)9-10(12)2/h6,10,12H,5,7-9H2,1-4H3/q+1
InChIKeyARMZWIPISSLVOO-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.12
Rot. Bonds3

About (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium

(4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium (PubChem CID 123839803) has the molecular formula C12H23FN+ and a molecular weight of 200.32 g/mol. Its IUPAC name is (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium.

Molecular Properties

Compound Name(4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium
PubChem CID123839803
Molecular FormulaC12H23FN+
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium
SMILESCCC[N+](C)(C)C1CC=C(F)CC1C
InChIInChI=1S/C12H23FN/c1-5-8-14(3,4)12-7-6-11(13)9-10(12)2/h6,10,12H,5,7-9H2,1-4H3/q+1
InChIKeyARMZWIPISSLVOO-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium 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,N-Diethyl-3,7-dimethyl-6-octen-1-amine
CID 14525584
3-Cyclohexene-1-methylamine, N,N-diethyl-, hydrochloride
CID 200463
3-Cyclohexene-1-methylamine, N-cyclopropyl-N-methyl-
CID 204472
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine
CID 200462
3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
4-(2-fluorocyclohex-3-en-1-yl)-N-methyl-N-propylbutan-2-amine
CID 89985334
3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 117848997
4-[(Z)-2-fluoroprop-1-enyl]-1-methylpiperidine
CID 131972841
(Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine
CID 134365806
(5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine
CID 137467773
1-(2-fluoropropyl)-2,4-dimethyl-3,6-dihydro-2H-pyridine
CID 142154455
2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine
CID 146476928

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium?
The IUPAC name of (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium (CID 123839803) is (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium.
What is the SMILES notation for (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium?
The canonical SMILES for (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium is CCC[N+](C)(C)C1CC=C(F)CC1C.
What is the InChIKey of (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium?
The InChIKey is ARMZWIPISSLVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN/c1-5-8-14(3,4)12-7-6-11(13)9-10(12)2/h6,10,12H,5,7-9H2,1-4H3/q+1.
What are the key properties of (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium?
(4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium has a molecular weight of 200.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium is sourced from PubChem (CID 123839803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).