N-(4-ethenyl-4-fluorocyclobut-2-en-1-yl)-3-methylcyclopentan-1-amine

C12H18FN — CID 123765745

IUPACN-(4-ethenyl-4-fluorocyclobut-2-en-1-yl)-3-methylcyclopentan-1-amine
SMILESC=CC1(F)C=CC1NC1CCC(C)C1
InChIInChI=1S/C12H18FN/c1-3-12(13)7-6-11(12)14-10-5-4-9(2)8-10/h3,6-7,9-11,14H,1,4-5,8H2,2H3
InChIKeyIUMHTYNJQVARFZ-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.60
Rot. Bonds3

About N-(4-ethenyl-4-fluorocyclobut-2-en-1-yl)-3-methylcyclopentan-1-amine

N-(4-ethenyl-4-fluorocyclobut-2-en-1-yl)-3-methylcyclopentan-1-amine (PubChem CID 123765745) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is N-(4-ethenyl-4-fluorocyclobut-2-en-1-yl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(4-ethenyl-4-fluorocyclobut-2-en-1-yl)-3-methylcyclopentan-1-amine
PubChem CID123765745
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC NameN-(4-ethenyl-4-fluorocyclobut-2-en-1-yl)-3-methylcyclopentan-1-amine
SMILESC=CC1(F)C=CC1NC1CCC(C)C1
InChIInChI=1S/C12H18FN/c1-3-12(13)7-6-11(12)14-10-5-4-9(2)8-10/h3,6-7,9-11,14H,1,4-5,8H2,2H3
InChIKeyIUMHTYNJQVARFZ-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethylamine, N-allyl-2-(2-cyclopentenyl)-1-methyl-
CID 49661
Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
(4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine
CID 118616262
1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
CID 129045764
N-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine
CID 134201178
3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine
CID 138655203
(E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine
CID 139376285
(2R,7E)-5,7-difluoro-2,4-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine
CID 166888468
(E)-3-(fluoromethyl)-N-hex-1-en-3-yl-2,4-dimethylhex-4-en-1-amine
CID 166894171
N-but-3-enyl-4-fluoro-2-methylcyclopentan-1-amine
CID 166995828
8-fluoro-N,6-dimethylspiro[3.4]oct-1-en-3-amine
CID 174307290
N-(cyclohex-3-en-1-ylmethyl)-1,1-difluoropropan-2-amine
CID 102869448

Frequently Asked Questions

What is the IUPAC name of N-(4-ethenyl-4-fluorocyclobut-2-en-1-yl)-3-methylcyclopentan-1-amine?
The IUPAC name of N-(4-ethenyl-4-fluorocyclobut-2-en-1-yl)-3-methylcyclopentan-1-amine (CID 123765745) is N-(4-ethenyl-4-fluorocyclobut-2-en-1-yl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-(4-ethenyl-4-fluorocyclobut-2-en-1-yl)-3-methylcyclopentan-1-amine?
The canonical SMILES for N-(4-ethenyl-4-fluorocyclobut-2-en-1-yl)-3-methylcyclopentan-1-amine is C=CC1(F)C=CC1NC1CCC(C)C1.
What is the InChIKey of N-(4-ethenyl-4-fluorocyclobut-2-en-1-yl)-3-methylcyclopentan-1-amine?
The InChIKey is IUMHTYNJQVARFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-3-12(13)7-6-11(12)14-10-5-4-9(2)8-10/h3,6-7,9-11,14H,1,4-5,8H2,2H3.
What are the key properties of N-(4-ethenyl-4-fluorocyclobut-2-en-1-yl)-3-methylcyclopentan-1-amine?
N-(4-ethenyl-4-fluorocyclobut-2-en-1-yl)-3-methylcyclopentan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenyl-4-fluorocyclobut-2-en-1-yl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 123765745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).