5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine

C14H18FN — CID 115890485

IUPAC5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
SMILESC=CCC(C)NC1CCc2cc(F)ccc21
InChIInChI=1S/C14H18FN/c1-3-4-10(2)16-14-8-5-11-9-12(15)6-7-13(11)14/h3,6-7,9-10,14,16H,1,4-5,8H2,2H3
InChIKeyLPMNISQBRGDYND-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.37
Rot. Bonds4

About 5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine

5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine (PubChem CID 115890485) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is 5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
PubChem CID115890485
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
SMILESC=CCC(C)NC1CCc2cc(F)ccc21
InChIInChI=1S/C14H18FN/c1-3-4-10(2)16-14-8-5-11-9-12(15)6-7-13(11)14/h3,6-7,9-10,14,16H,1,4-5,8H2,2H3
InChIKeyLPMNISQBRGDYND-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.37
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

Rasagiline
CID 3052776
(1S)-2,3-Dihydro-N-2-propyn-1-yl-1H-inden-1-amine
CID 5289310
N-Methylindan-2-amine
CID 15023225
(R)-N-methyl-N-2-propynyl-1-indanamine
CID 5289295
N-Butyl-alpha-methylbenzenemethanamine
CID 21518
(R)-(-)-1-Aminoindan
CID 2733933
1-Aminoindane, (S)-
CID 7000084
Cyclopentyl-(1-phenyl-ethyl)-amine
CID 427071
N-methyl-2,3-dihydro-1H-inden-1-amine
CID 16774798
(+-)-1-Aminoindan
CID 123445
Benzenemethanamine, 3-fluoro-N-(1-methylethyl)-
CID 457579
N-Methyl-1(R)-aminoindan
CID 5494442

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine (CID 115890485) is 5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine is C=CCC(C)NC1CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is LPMNISQBRGDYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-3-4-10(2)16-14-8-5-11-9-12(15)6-7-13(11)14/h3,6-7,9-10,14,16H,1,4-5,8H2,2H3.
What are the key properties of 5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine?
5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 219.30 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115890485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).