6-ethynyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine

C13H15N — CID 22349552

IUPAC6-ethynyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESC#Cc1ccc2c(c1)C(N(C)C)CC2
InChIInChI=1S/C13H15N/c1-4-10-5-6-11-7-8-13(14(2)3)12(11)9-10/h1,5-6,9,13H,7-8H2,2-3H3
InChIKeyGWAGEZXNQWUJHX-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.22
Rot. Bonds1

About 6-ethynyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine

6-ethynyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 22349552) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 6-ethynyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-ethynyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
PubChem CID22349552
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name6-ethynyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESC#Cc1ccc2c(c1)C(N(C)C)CC2
InChIInChI=1S/C13H15N/c1-4-10-5-6-11-7-8-13(14(2)3)12(11)9-10/h1,5-6,9,13H,7-8H2,2-3H3
InChIKeyGWAGEZXNQWUJHX-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 54164704
6-(2-methoxyphenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 25154405
5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 22349548
(1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 167334523
N,N-dimethyl-6-[2-methyl-6-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 58173143
(1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154365
N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154364
N,N-dimethyl-7-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54507552
N-[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-1,3-thiazole-5-sulfonamide
CID 140564679
1-(dimethylamino)-2,3-dihydro-1H-inden-4-ol
CID 11789767
(4S)-6-ethynyl-3,4-dihydro-1H-isochromen-4-amine
CID 130713787
(3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 131140735

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-ethynyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine (CID 22349552) is 6-ethynyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-ethynyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-ethynyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine is C#Cc1ccc2c(c1)C(N(C)C)CC2.
What is the InChIKey of 6-ethynyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GWAGEZXNQWUJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-4-10-5-6-11-7-8-13(14(2)3)12(11)9-10/h1,5-6,9,13H,7-8H2,2-3H3.
What are the key properties of 6-ethynyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
6-ethynyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 185.27 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 22349552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).