4-fluoro-N-hex-5-yn-3-yl-2,3-dihydro-1H-inden-1-amine

C15H18FN — CID 115672929

IUPAC4-fluoro-N-hex-5-yn-3-yl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCC(CC)NC1CCc2c(F)cccc21
InChIInChI=1S/C15H18FN/c1-3-6-11(4-2)17-15-10-9-12-13(15)7-5-8-14(12)16/h1,5,7-8,11,15,17H,4,6,9-10H2,2H3
InChIKeyRYICGQSOYYUNLQ-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.20
Rot. Bonds4

About 4-fluoro-N-hex-5-yn-3-yl-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-hex-5-yn-3-yl-2,3-dihydro-1H-inden-1-amine (PubChem CID 115672929) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is 4-fluoro-N-hex-5-yn-3-yl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-hex-5-yn-3-yl-2,3-dihydro-1H-inden-1-amine
PubChem CID115672929
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC Name4-fluoro-N-hex-5-yn-3-yl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCC(CC)NC1CCc2c(F)cccc21
InChIInChI=1S/C15H18FN/c1-3-6-11(4-2)17-15-10-9-12-13(15)7-5-8-14(12)16/h1,5,7-8,11,15,17H,4,6,9-10H2,2H3
InChIKeyRYICGQSOYYUNLQ-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79492992
1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 43636908
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 78956060
N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065507
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-3-ol
CID 113262785
4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine
CID 103846488
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid
CID 83069027
4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 83067010
4-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79490334
4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 113348816

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-hex-5-yn-3-yl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-hex-5-yn-3-yl-2,3-dihydro-1H-inden-1-amine (CID 115672929) is 4-fluoro-N-hex-5-yn-3-yl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-hex-5-yn-3-yl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-hex-5-yn-3-yl-2,3-dihydro-1H-inden-1-amine is C#CCC(CC)NC1CCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-N-hex-5-yn-3-yl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RYICGQSOYYUNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN/c1-3-6-11(4-2)17-15-10-9-12-13(15)7-5-8-14(12)16/h1,5,7-8,11,15,17H,4,6,9-10H2,2H3.
What are the key properties of 4-fluoro-N-hex-5-yn-3-yl-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-hex-5-yn-3-yl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 231.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-hex-5-yn-3-yl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115672929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).