3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine

C18H27NO — CID 66358217

IUPAC3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc3c(c2)CCC3)C1(C)C
InChIInChI=1S/C18H27NO/c1-4-10-19-16-12-17(18(16,2)3)20-15-9-8-13-6-5-7-14(13)11-15/h8-9,11,16-17,19H,4-7,10,12H2,1-3H3
InChIKeyOUNACWQIMVLRMP-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.72
Rot. Bonds5

About 3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine

3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine (PubChem CID 66358217) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
PubChem CID66358217
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc3c(c2)CCC3)C1(C)C
InChIInChI=1S/C18H27NO/c1-4-10-19-16-12-17(18(16,2)3)20-15-9-8-13-6-5-7-14(13)11-15/h8-9,11,16-17,19H,4-7,10,12H2,1-3H3
InChIKeyOUNACWQIMVLRMP-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine (CID 66358217) is 3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2ccc3c(c2)CCC3)C1(C)C.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The InChIKey is OUNACWQIMVLRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-10-19-16-12-17(18(16,2)3)20-15-9-8-13-6-5-7-14(13)11-15/h8-9,11,16-17,19H,4-7,10,12H2,1-3H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66358217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).