5-ethyl-6-fluoro-2-propan-2-ylcyclohexa-1,5-dien-1-amine

C11H18FN — CID 172585884

IUPAC5-ethyl-6-fluoro-2-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILESCCC1=C(F)C(N)=C(C(C)C)CC1
InChIInChI=1S/C11H18FN/c1-4-8-5-6-9(7(2)3)11(13)10(8)12/h7H,4-6,13H2,1-3H3
InChIKeyHOHSQIYSADWCRV-UHFFFAOYSA-N
MW183.27 g/mol
LogP3.28
Rot. Bonds2

About 5-ethyl-6-fluoro-2-propan-2-ylcyclohexa-1,5-dien-1-amine

5-ethyl-6-fluoro-2-propan-2-ylcyclohexa-1,5-dien-1-amine (PubChem CID 172585884) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 5-ethyl-6-fluoro-2-propan-2-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-ethyl-6-fluoro-2-propan-2-ylcyclohexa-1,5-dien-1-amine
PubChem CID172585884
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name5-ethyl-6-fluoro-2-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILESCCC1=C(F)C(N)=C(C(C)C)CC1
InChIInChI=1S/C11H18FN/c1-4-8-5-6-9(7(2)3)11(13)10(8)12/h7H,4-6,13H2,1-3H3
InChIKeyHOHSQIYSADWCRV-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2,4-difluorocyclohexa-1,3-diene
CID 142010109
5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 167225931
2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine
CID 70666053
4-propan-2-ylcyclohexa-1,3-diene-1,3-diamine
CID 146506417
(2-propan-2-ylcyclopenten-1-yl)methanol
CID 153463794
8-ethyl-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene
CID 171828637
3,4-diethylcyclohexa-1,3-dien-1-amine
CID 143938092
1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium
CID 178170510
4-ethyl-2-methoxy-1-propan-2-ylcyclohexa-1,3-diene
CID 178118195
5-ethyl-1,4-di(propan-2-yl)-2,3-dihydropyrrole
CID 174352136
(2-propan-2-ylcyclopenten-1-yl)methanethiol
CID 130248159
5-ethyl-1-methyl-6-propan-2-yl-3,4-dihydro-2H-pyridine
CID 167519513

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-fluoro-2-propan-2-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-ethyl-6-fluoro-2-propan-2-ylcyclohexa-1,5-dien-1-amine (CID 172585884) is 5-ethyl-6-fluoro-2-propan-2-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-ethyl-6-fluoro-2-propan-2-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-ethyl-6-fluoro-2-propan-2-ylcyclohexa-1,5-dien-1-amine is CCC1=C(F)C(N)=C(C(C)C)CC1.
What is the InChIKey of 5-ethyl-6-fluoro-2-propan-2-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is HOHSQIYSADWCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-4-8-5-6-9(7(2)3)11(13)10(8)12/h7H,4-6,13H2,1-3H3.
What are the key properties of 5-ethyl-6-fluoro-2-propan-2-ylcyclohexa-1,5-dien-1-amine?
5-ethyl-6-fluoro-2-propan-2-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 183.27 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-fluoro-2-propan-2-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 172585884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).