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

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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).