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

C14H16ClN — CID 115725341

IUPAC5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCC(C)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C14H16ClN/c1-3-4-10(2)16-14-8-5-11-9-12(15)6-7-13(11)14/h1,6-7,9-10,14,16H,4-5,8H2,2H3
InChIKeyMAEIFEDMXKCNHA-UHFFFAOYSA-N
MW233.74 g/mol
LogP3.33
Rot. Bonds3

About 5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine

5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine (PubChem CID 115725341) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine
PubChem CID115725341
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCC(C)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C14H16ClN/c1-3-4-10(2)16-14-8-5-11-9-12(15)6-7-13(11)14/h1,6-7,9-10,14,16H,4-5,8H2,2H3
InChIKeyMAEIFEDMXKCNHA-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 53.33
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

3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 81338301
2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 81345581
5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 104827853
6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113262380
2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 81302223
(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97357898
4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine
CID 103846488
5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81300722
5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81328984
N-butan-2-yl-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 115705716
5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81345201
4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115725315

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine (CID 115725341) is 5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine is C#CCC(C)NC1CCc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MAEIFEDMXKCNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN/c1-3-4-10(2)16-14-8-5-11-9-12(15)6-7-13(11)14/h1,6-7,9-10,14,16H,4-5,8H2,2H3.
What are the key properties of 5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 233.74 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115725341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).