4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine

C11H18FN — CID 123988716

IUPAC4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine
SMILESCCC1=CC(C)CC(NC)C=C1F
InChIInChI=1S/C11H18FN/c1-4-9-5-8(2)6-10(13-3)7-11(9)12/h5,7-8,10,13H,4,6H2,1-3H3
InChIKeyYQCJKIIARURMLG-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.80
Rot. Bonds2

About 4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine

4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine (PubChem CID 123988716) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine.

Molecular Properties

Compound Name4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine
PubChem CID123988716
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine
SMILESCCC1=CC(C)CC(NC)C=C1F
InChIInChI=1S/C11H18FN/c1-4-9-5-8(2)6-10(13-3)7-11(9)12/h5,7-8,10,13H,4,6H2,1-3H3
InChIKeyYQCJKIIARURMLG-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 68241956
1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N-methylethanamine
CID 91012112
(E,2R)-4-fluoro-N-methyl-3-methylidenehex-4-en-2-amine
CID 117854387
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
5-fluoro-N,8-dimethylnon-5-en-2-amine
CID 123595869
3-Fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine
CID 129194102
N-[1-(4-fluorocyclopenta-1,3-dien-1-yl)ethyl]-2-methylbutan-1-amine
CID 130392642
1-(7-fluorocyclohepta-1,6-dien-1-yl)-N-propylbutan-1-amine
CID 132198554
2-fluoro-4-(2-methylbutyl)-2,7-dihydro-1H-azepine
CID 137387877
(5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine
CID 137390775
(1S)-4,5-difluoro-2,6-dimethylcyclohepta-2,4-dien-1-amine
CID 138573024
3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine
CID 138655203

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine?
The IUPAC name of 4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine (CID 123988716) is 4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine.
What is the SMILES notation for 4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine?
The canonical SMILES for 4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine is CCC1=CC(C)CC(NC)C=C1F.
What is the InChIKey of 4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine?
The InChIKey is YQCJKIIARURMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-4-9-5-8(2)6-10(13-3)7-11(9)12/h5,7-8,10,13H,4,6H2,1-3H3.
What are the key properties of 4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine?
4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine has a molecular weight of 183.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine is sourced from PubChem (CID 123988716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).