1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine

C9H14FN — CID 129059918

IUPAC1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1=CCCC(F)=C1
InChIInChI=1S/C9H14FN/c1-11(2)7-8-4-3-5-9(10)6-8/h4,6H,3,5,7H2,1-2H3
InChIKeyGPHOISAPIRFPTE-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.12
Rot. Bonds2

About 1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine

1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine (PubChem CID 129059918) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
PubChem CID129059918
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1=CCCC(F)=C1
InChIInChI=1S/C9H14FN/c1-11(2)7-8-4-3-5-9(10)6-8/h4,6H,3,5,7H2,1-2H3
InChIKeyGPHOISAPIRFPTE-UHFFFAOYSA-N
XLogP2.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
o-Lithiodimethylbenzylamine
CID 10866427
5-ethyl-1-methyl-2H-pyridine
CID 12506167
1,3,5-Collidin
CID 22046103
1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 22637871
1-fluoro-N-(fluoromethyl)-N-methylcyclohexa-2,4-dien-1-amine
CID 22638016
1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 68393518
1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 88589110
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908
3-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 117936380
7-Fluoro-1,5,6-trimethyl-2,3-dihydroazepine
CID 123322899

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine (CID 129059918) is 1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine is CN(C)CC1=CCCC(F)=C1.
What is the InChIKey of 1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine?
The InChIKey is GPHOISAPIRFPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-11(2)7-8-4-3-5-9(10)6-8/h4,6H,3,5,7H2,1-2H3.
What are the key properties of 1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine?
1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine has a molecular weight of 155.22 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 129059918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).