2-fluoro-N-methyl-6-propylcyclohexa-2,5-dien-1-amine

C10H16FN — CID 91438646

IUPAC2-fluoro-N-methyl-6-propylcyclohexa-2,5-dien-1-amine
SMILESCCCC1=CCC=C(F)C1NC
InChIInChI=1S/C10H16FN/c1-3-5-8-6-4-7-9(11)10(8)12-2/h6-7,10,12H,3-5H2,1-2H3
InChIKeyOBEUEVCUEPTLHR-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.56
Rot. Bonds3

About 2-fluoro-N-methyl-6-propylcyclohexa-2,5-dien-1-amine

2-fluoro-N-methyl-6-propylcyclohexa-2,5-dien-1-amine (PubChem CID 91438646) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 2-fluoro-N-methyl-6-propylcyclohexa-2,5-dien-1-amine.

Molecular Properties

Compound Name2-fluoro-N-methyl-6-propylcyclohexa-2,5-dien-1-amine
PubChem CID91438646
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name2-fluoro-N-methyl-6-propylcyclohexa-2,5-dien-1-amine
SMILESCCCC1=CCC=C(F)C1NC
InChIInChI=1S/C10H16FN/c1-3-5-8-6-4-7-9(11)10(8)12-2/h6-7,10,12H,3-5H2,1-2H3
InChIKeyOBEUEVCUEPTLHR-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Isometheptene
CID 22297
Dexisometheptene
CID 24871315
(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridinium
CID 16193239
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
Isometheptene-mucate
CID 6604597
1-(Cyclohexa-1,4-dien-1-yl)-N-methylpropan-2-amine
CID 57487843
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
R-Azabisabolene
CID 5289266
S-Azabisabolene
CID 5289326
(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1272098
2,6-Bis-(2-methyl-allyl)-1,2,3,6-tetrahydro-pyridine
CID 3123936
(2S,6R)-2,6-bis(2-methylprop-2-enyl)-1,2,5,6-tetrahydropyridine
CID 7175881

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-6-propylcyclohexa-2,5-dien-1-amine?
The IUPAC name of 2-fluoro-N-methyl-6-propylcyclohexa-2,5-dien-1-amine (CID 91438646) is 2-fluoro-N-methyl-6-propylcyclohexa-2,5-dien-1-amine.
What is the SMILES notation for 2-fluoro-N-methyl-6-propylcyclohexa-2,5-dien-1-amine?
The canonical SMILES for 2-fluoro-N-methyl-6-propylcyclohexa-2,5-dien-1-amine is CCCC1=CCC=C(F)C1NC.
What is the InChIKey of 2-fluoro-N-methyl-6-propylcyclohexa-2,5-dien-1-amine?
The InChIKey is OBEUEVCUEPTLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-3-5-8-6-4-7-9(11)10(8)12-2/h6-7,10,12H,3-5H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-6-propylcyclohexa-2,5-dien-1-amine?
2-fluoro-N-methyl-6-propylcyclohexa-2,5-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-6-propylcyclohexa-2,5-dien-1-amine is sourced from PubChem (CID 91438646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).