3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine

C13H22FN — CID 134365793

IUPAC3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine
SMILESCCC(CCN(C)C)C1=CC=C(F)CC1
InChIInChI=1S/C13H22FN/c1-4-11(9-10-15(2)3)12-5-7-13(14)8-6-12/h5,7,11H,4,6,8-10H2,1-3H3
InChIKeyRRQSSGDNGQQGLZ-UHFFFAOYSA-N
MW211.32 g/mol
LogP3.54
Rot. Bonds5

About 3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine

3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine (PubChem CID 134365793) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine.

Molecular Properties

Compound Name3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine
PubChem CID134365793
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine
SMILESCCC(CCN(C)C)C1=CC=C(F)CC1
InChIInChI=1S/C13H22FN/c1-4-11(9-10-15(2)3)12-5-7-13(14)8-6-12/h5,7,11H,4,6,8-10H2,1-3H3
InChIKeyRRQSSGDNGQQGLZ-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-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

Related Compounds

N,N-Diethyl-3,7-dimethyl-6-octen-1-amine
CID 14525584
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine
CID 200462
N-(3-ethylheptyl)-1,5-difluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 17948343
N-(3-ethylheptyl)-1-fluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 23123206
3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
1-Ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
CID 70954594
2-ethyl-6-fluoro-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514110
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-methylpiperidine
CID 118422995
4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine
CID 121306892
1-(8-Fluoro-4,5-dimethylnona-5,7-dienyl)piperidine
CID 123361404
4-[1-(4-Fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine
CID 129131717
(1R,2R)-1-fluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)-N-prop-2-ynylpropan-2-amine
CID 130217155

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine?
The IUPAC name of 3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine (CID 134365793) is 3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine.
What is the SMILES notation for 3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine?
The canonical SMILES for 3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine is CCC(CCN(C)C)C1=CC=C(F)CC1.
What is the InChIKey of 3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine?
The InChIKey is RRQSSGDNGQQGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN/c1-4-11(9-10-15(2)3)12-5-7-13(14)8-6-12/h5,7,11H,4,6,8-10H2,1-3H3.
What are the key properties of 3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine?
3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine has a molecular weight of 211.32 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine is sourced from PubChem (CID 134365793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).