5-fluoro-N,4,4-trimethyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine

C12H18FN — CID 126590863

IUPAC5-fluoro-N,4,4-trimethyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
SMILESC=C(C)N(C)C1=CCC(C)(C)C(F)=C1
InChIInChI=1S/C12H18FN/c1-9(2)14(5)10-6-7-12(3,4)11(13)8-10/h6,8H,1,7H2,2-5H3
InChIKeyOGAHXJYRVIGAHX-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.62
Rot. Bonds2

About 5-fluoro-N,4,4-trimethyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine

5-fluoro-N,4,4-trimethyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine (PubChem CID 126590863) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 5-fluoro-N,4,4-trimethyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-fluoro-N,4,4-trimethyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
PubChem CID126590863
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name5-fluoro-N,4,4-trimethyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
SMILESC=C(C)N(C)C1=CCC(C)(C)C(F)=C1
InChIInChI=1S/C12H18FN/c1-9(2)14(5)10-6-7-12(3,4)11(13)8-10/h6,8H,1,7H2,2-5H3
InChIKeyOGAHXJYRVIGAHX-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Launch Full Analysis

Related Compounds

5-tert-butyl-6-fluoro-1-methyl-2H-pyridine
CID 91405121
N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 126629579
5-Tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine
CID 134559782
N-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 142020198
(1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine
CID 142309007
(3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine
CID 143750155
N-[1-(5-fluoro-3-methylcyclohexa-1,5-dien-1-yl)ethenyl]-N,2,2-trimethylbutan-1-amine
CID 146646318
N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine
CID 166651269
1,3-Ditert-butyl-5-fluoro-2-methylidenepyridine
CID 170184385
(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine
CID 142309003
2-fluoro-3,3-dimethyl-N,N-dipropylcyclohexa-1,5-dien-1-amine
CID 144915718
5-Tert-butyl-3-fluoro-1-methyl-2-methylidenepyridine
CID 159514576

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,4,4-trimethyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-fluoro-N,4,4-trimethyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine (CID 126590863) is 5-fluoro-N,4,4-trimethyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-fluoro-N,4,4-trimethyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-fluoro-N,4,4-trimethyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine is C=C(C)N(C)C1=CCC(C)(C)C(F)=C1.
What is the InChIKey of 5-fluoro-N,4,4-trimethyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is OGAHXJYRVIGAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-9(2)14(5)10-6-7-12(3,4)11(13)8-10/h6,8H,1,7H2,2-5H3.
What are the key properties of 5-fluoro-N,4,4-trimethyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
5-fluoro-N,4,4-trimethyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 195.28 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,4,4-trimethyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 126590863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).