4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine

C14H16BrN — CID 103846488

IUPAC4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCC(C)NC1CCc2c(Br)cccc21
InChIInChI=1S/C14H16BrN/c1-3-5-10(2)16-14-9-8-11-12(14)6-4-7-13(11)15/h1,4,6-7,10,14,16H,5,8-9H2,2H3
InChIKeyLFUCRTBDXXMBQZ-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.44
Rot. Bonds3

About 4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine

4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine (PubChem CID 103846488) has the molecular formula C14H16BrN and a molecular weight of 278.19 g/mol. Its IUPAC name is 4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine
PubChem CID103846488
Molecular FormulaC14H16BrN
Molecular Weight278.19 g/mol
Exact Mass277.05
IUPAC Name4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCC(C)NC1CCc2c(Br)cccc21
InChIInChI=1S/C14H16BrN/c1-3-5-10(2)16-14-9-8-11-12(14)6-4-7-13(11)15/h1,4,6-7,10,14,16H,5,8-9H2,2H3
InChIKeyLFUCRTBDXXMBQZ-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.44
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

6-Bromo-2,3-dihydro-1H-inden-1-amine
CID 16244315
4-bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 50988684
(R)-4-Bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 53485127
7-Bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 127264661
2-(3-Bromo-2-methylphenyl)pyrrolidine hydrochloride
CID 75480462
7-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 105502106
N-methyl-N-propargyl-(1-indanyl)-ammonium chloride
CID 129718910
(S)-5-bromo-2,3-dihydro-1H-inden-1-amine
CID 28206724
4-bromo-2,3-dihydro-1H-inden-1-amine
CID 43189451
4-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 103719124
(R)-1-Amino-4-bromo-7-fluoroindane
CID 130711258
2-fluoro-N-(2-methylbut-3-yn-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 144444463

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine (CID 103846488) is 4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine is C#CCC(C)NC1CCc2c(Br)cccc21.
What is the InChIKey of 4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is LFUCRTBDXXMBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN/c1-3-5-10(2)16-14-9-8-11-12(14)6-4-7-13(11)15/h1,4,6-7,10,14,16H,5,8-9H2,2H3.
What are the key properties of 4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine?
4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 278.19 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103846488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).