N-[1-(4-fluorocyclopenta-1,3-dien-1-yl)ethyl]-2-methylbutan-1-amine

C12H20FN — CID 130392642

IUPACN-[1-(4-fluorocyclopenta-1,3-dien-1-yl)ethyl]-2-methylbutan-1-amine
SMILESCCC(C)CNC(C)C1=CC=C(F)C1
InChIInChI=1S/C12H20FN/c1-4-9(2)8-14-10(3)11-5-6-12(13)7-11/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyDRCRTBMIHXOWFT-UHFFFAOYSA-N
MW197.30 g/mol
LogP3.19
Rot. Bonds5

About N-[1-(4-fluorocyclopenta-1,3-dien-1-yl)ethyl]-2-methylbutan-1-amine

N-[1-(4-fluorocyclopenta-1,3-dien-1-yl)ethyl]-2-methylbutan-1-amine (PubChem CID 130392642) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is N-[1-(4-fluorocyclopenta-1,3-dien-1-yl)ethyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorocyclopenta-1,3-dien-1-yl)ethyl]-2-methylbutan-1-amine
PubChem CID130392642
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC NameN-[1-(4-fluorocyclopenta-1,3-dien-1-yl)ethyl]-2-methylbutan-1-amine
SMILESCCC(C)CNC(C)C1=CC=C(F)C1
InChIInChI=1S/C12H20FN/c1-4-9(2)8-14-10(3)11-5-6-12(13)7-11/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyDRCRTBMIHXOWFT-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 68241956
N-(cyclopropylmethyl)-1-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]prop-2-en-1-amine
CID 89290253
N-[(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)methyl]-2-methylpropan-1-amine
CID 90831730
(E,2R)-4-fluoro-N-methyl-3-methylidenehex-4-en-2-amine
CID 117854387
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
5-fluoro-N,8-dimethylnon-5-en-2-amine
CID 123595869
2-(4-fluorocyclohexa-1,3-dien-1-yl)-2,5-dihydro-1H-pyrrole
CID 123702371
4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine
CID 123988716
(2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine
CID 129150659
(E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine
CID 129302973
1-[4-[[Ethyl(methyl)amino]methyl]cyclohexa-1,5-dien-1-yl]-3-fluoropropan-2-amine
CID 129313214
1-(7-fluorocyclohepta-1,6-dien-1-yl)-N-propylbutan-1-amine
CID 132198554

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorocyclopenta-1,3-dien-1-yl)ethyl]-2-methylbutan-1-amine?
The IUPAC name of N-[1-(4-fluorocyclopenta-1,3-dien-1-yl)ethyl]-2-methylbutan-1-amine (CID 130392642) is N-[1-(4-fluorocyclopenta-1,3-dien-1-yl)ethyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[1-(4-fluorocyclopenta-1,3-dien-1-yl)ethyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[1-(4-fluorocyclopenta-1,3-dien-1-yl)ethyl]-2-methylbutan-1-amine is CCC(C)CNC(C)C1=CC=C(F)C1.
What is the InChIKey of N-[1-(4-fluorocyclopenta-1,3-dien-1-yl)ethyl]-2-methylbutan-1-amine?
The InChIKey is DRCRTBMIHXOWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c1-4-9(2)8-14-10(3)11-5-6-12(13)7-11/h5-6,9-10,14H,4,7-8H2,1-3H3.
What are the key properties of N-[1-(4-fluorocyclopenta-1,3-dien-1-yl)ethyl]-2-methylbutan-1-amine?
N-[1-(4-fluorocyclopenta-1,3-dien-1-yl)ethyl]-2-methylbutan-1-amine has a molecular weight of 197.30 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorocyclopenta-1,3-dien-1-yl)ethyl]-2-methylbutan-1-amine is sourced from PubChem (CID 130392642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).