5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine

C15H19NO — CID 107683611

IUPAC5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine
SMILESCC#CCOc1ccc2c(c1)CCC2NCC
InChIInChI=1S/C15H19NO/c1-3-5-10-17-13-7-8-14-12(11-13)6-9-15(14)16-4-2/h7-8,11,15-16H,4,6,9-10H2,1-2H3
InChIKeySLSYUZRNGAIZKF-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.69
Rot. Bonds4

About 5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine

5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 107683611) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine
PubChem CID107683611
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine
SMILESCC#CCOc1ccc2c(c1)CCC2NCC
InChIInChI=1S/C15H19NO/c1-3-5-10-17-13-7-8-14-12(11-13)6-9-15(14)16-4-2/h7-8,11,15-16H,4,6,9-10H2,1-2H3
InChIKeySLSYUZRNGAIZKF-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 107684782
N-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine
CID 107683662
5-[2-(diethylamino)ethoxy]-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 107683747
N-ethyl-5-[(2-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683619
3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenol
CID 107683685
1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol
CID 107683826
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 107683654
N-cyclopropyl-3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanamide
CID 107683586
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-(2-methylpropyl)acetamide
CID 107683613
N-ethyl-5-(2-ethylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine
CID 107683841
6-but-2-enoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 76919283
N-ethyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683725

Frequently Asked Questions

What is the IUPAC name of 5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine (CID 107683611) is 5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine is CC#CCOc1ccc2c(c1)CCC2NCC.
What is the InChIKey of 5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SLSYUZRNGAIZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-5-10-17-13-7-8-14-12(11-13)6-9-15(14)16-4-2/h7-8,11,15-16H,4,6,9-10H2,1-2H3.
What are the key properties of 5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine?
5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 229.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107683611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).