N-[1-(1-fluorocyclopropyl)ethenyl]-3,3-dimethylbutan-2-amine

C11H20FN — CID 169254538

IUPACN-[1-(1-fluorocyclopropyl)ethenyl]-3,3-dimethylbutan-2-amine
SMILESC=C(NC(C)C(C)(C)C)C1(F)CC1
InChIInChI=1S/C11H20FN/c1-8(10(3,4)5)13-9(2)11(12)6-7-11/h8,13H,2,6-7H2,1,3-5H3
InChIKeyLTUMIDMRXFKOLY-UHFFFAOYSA-N
MW185.29 g/mol
LogP3.03
Rot. Bonds3

About N-[1-(1-fluorocyclopropyl)ethenyl]-3,3-dimethylbutan-2-amine

N-[1-(1-fluorocyclopropyl)ethenyl]-3,3-dimethylbutan-2-amine (PubChem CID 169254538) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is N-[1-(1-fluorocyclopropyl)ethenyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(1-fluorocyclopropyl)ethenyl]-3,3-dimethylbutan-2-amine
PubChem CID169254538
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC NameN-[1-(1-fluorocyclopropyl)ethenyl]-3,3-dimethylbutan-2-amine
SMILESC=C(NC(C)C(C)(C)C)C1(F)CC1
InChIInChI=1S/C11H20FN/c1-8(10(3,4)5)13-9(2)11(12)6-7-11/h8,13H,2,6-7H2,1,3-5H3
InChIKeyLTUMIDMRXFKOLY-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-fluorocyclopropyl)ethenyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[1-(1-fluorocyclopropyl)ethenyl]-3,3-dimethylbutan-2-amine (CID 169254538) is N-[1-(1-fluorocyclopropyl)ethenyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[1-(1-fluorocyclopropyl)ethenyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[1-(1-fluorocyclopropyl)ethenyl]-3,3-dimethylbutan-2-amine is C=C(NC(C)C(C)(C)C)C1(F)CC1.
What is the InChIKey of N-[1-(1-fluorocyclopropyl)ethenyl]-3,3-dimethylbutan-2-amine?
The InChIKey is LTUMIDMRXFKOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-8(10(3,4)5)13-9(2)11(12)6-7-11/h8,13H,2,6-7H2,1,3-5H3.
What are the key properties of N-[1-(1-fluorocyclopropyl)ethenyl]-3,3-dimethylbutan-2-amine?
N-[1-(1-fluorocyclopropyl)ethenyl]-3,3-dimethylbutan-2-amine has a molecular weight of 185.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-fluorocyclopropyl)ethenyl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 169254538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).