3-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N,N-dimethylpentan-1-amine

C14H22FN — CID 144635947

IUPAC3-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N,N-dimethylpentan-1-amine
SMILESCCC(CCN(C)C)C1=CC=C(F)C=CC1
InChIInChI=1S/C14H22FN/c1-4-12(10-11-16(2)3)13-6-5-7-14(15)9-8-13/h5,7-9,12H,4,6,10-11H2,1-3H3
InChIKeyZRNUJXKAZNCBOO-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.70
Rot. Bonds5

About 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N,N-dimethylpentan-1-amine

3-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N,N-dimethylpentan-1-amine (PubChem CID 144635947) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N,N-dimethylpentan-1-amine.

Molecular Properties

Compound Name3-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N,N-dimethylpentan-1-amine
PubChem CID144635947
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name3-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N,N-dimethylpentan-1-amine
SMILESCCC(CCN(C)C)C1=CC=C(F)C=CC1
InChIInChI=1S/C14H22FN/c1-4-12(10-11-16(2)3)13-6-5-7-14(15)9-8-13/h5,7-9,12H,4,6,10-11H2,1-3H3
InChIKeyZRNUJXKAZNCBOO-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N,N-dimethylpentan-1-amine?
The IUPAC name of 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N,N-dimethylpentan-1-amine (CID 144635947) is 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N,N-dimethylpentan-1-amine.
What is the SMILES notation for 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N,N-dimethylpentan-1-amine?
The canonical SMILES for 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N,N-dimethylpentan-1-amine is CCC(CCN(C)C)C1=CC=C(F)C=CC1.
What is the InChIKey of 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N,N-dimethylpentan-1-amine?
The InChIKey is ZRNUJXKAZNCBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-12(10-11-16(2)3)13-6-5-7-14(15)9-8-13/h5,7-9,12H,4,6,10-11H2,1-3H3.
What are the key properties of 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N,N-dimethylpentan-1-amine?
3-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N,N-dimethylpentan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N,N-dimethylpentan-1-amine is sourced from PubChem (CID 144635947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).