5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine

C17H27NO — CID 107683877

IUPAC5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CCc2cc(OC(CC)CC)ccc21
InChIInChI=1S/C17H27NO/c1-4-11-18-17-10-7-13-12-15(8-9-16(13)17)19-14(5-2)6-3/h8-9,12,14,17-18H,4-7,10-11H2,1-3H3
InChIKeyRXMLYXLFSJORAK-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.24
Rot. Bonds7

About 5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine

5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 107683877) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID107683877
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CCc2cc(OC(CC)CC)ccc21
InChIInChI=1S/C17H27NO/c1-4-11-18-17-10-7-13-12-15(8-9-16(13)17)19-14(5-2)6-3/h8-9,12,14,17-18H,4-7,10-11H2,1-3H3
InChIKeyRXMLYXLFSJORAK-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107683888
5-[2-(dimethylamino)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107684000
ethyl 2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 107683871
N,N-dimethyl-2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 107683897
N-cyclopropyl-2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 107684032
2,2-dimethyl-3-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoic acid
CID 107683929
5-[(3-methyl-1,2-oxazol-5-yl)methoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107683923
ethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate
CID 107683817
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide
CID 107683580
6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104647002
6-cyclohex-2-en-1-yloxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114619764
5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
CID 116531093

Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 107683877) is 5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1CCc2cc(OC(CC)CC)ccc21.
What is the InChIKey of 5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RXMLYXLFSJORAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-11-18-17-10-7-13-12-15(8-9-16(13)17)19-14(5-2)6-3/h8-9,12,14,17-18H,4-7,10-11H2,1-3H3.
What are the key properties of 5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine?
5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107683877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).