N-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine

C16H21NO — CID 107683662

IUPACN-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine
SMILESC#CCCCOc1ccc2c(c1)CCC2NCC
InChIInChI=1S/C16H21NO/c1-3-5-6-11-18-14-8-9-15-13(12-14)7-10-16(15)17-4-2/h1,8-9,12,16-17H,4-7,10-11H2,2H3
InChIKeyMAAPJZQIBBTWEK-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.08
Rot. Bonds6

About N-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine

N-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 107683662) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID107683662
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine
SMILESC#CCCCOc1ccc2c(c1)CCC2NCC
InChIInChI=1S/C16H21NO/c1-3-5-6-11-18-14-8-9-15-13(12-14)7-10-16(15)17-4-2/h1,8-9,12,16-17H,4-7,10-11H2,2H3
InChIKeyMAAPJZQIBBTWEK-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(diethylamino)ethoxy]-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 107683747
5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 107683611
1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol
CID 107683826
N-cyclopropyl-3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanamide
CID 107683586
5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 130014165
N-ethyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683725
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
5-[2-(dimethylamino)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107684000
3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpropanamide
CID 62324931
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 107683654
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-(2-methylpropyl)acetamide
CID 107683613

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine (CID 107683662) is N-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine is C#CCCCOc1ccc2c(c1)CCC2NCC.
What is the InChIKey of N-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MAAPJZQIBBTWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-5-6-11-18-14-8-9-15-13(12-14)7-10-16(15)17-4-2/h1,8-9,12,16-17H,4-7,10-11H2,2H3.
What are the key properties of N-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine?
N-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107683662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).