4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine

C18H29NO — CID 63485329

IUPAC4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CCc2c(OCCC(C)(C)C)cccc21
InChIInChI=1S/C18H29NO/c1-5-12-19-16-10-9-15-14(16)7-6-8-17(15)20-13-11-18(2,3)4/h6-8,16,19H,5,9-13H2,1-4H3
InChIKeyYSTDTLBJUJTICC-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.49
Rot. Bonds6

About 4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine

4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 63485329) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID63485329
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CCc2c(OCCC(C)(C)C)cccc21
InChIInChI=1S/C18H29NO/c1-5-12-19-16-10-9-15-14(16)7-6-8-17(15)20-13-11-18(2,3)4/h6-8,16,19H,5,9-13H2,1-4H3
InChIKeyYSTDTLBJUJTICC-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 63485329) is 4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1CCc2c(OCCC(C)(C)C)cccc21.
What is the InChIKey of 4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YSTDTLBJUJTICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-12-19-16-10-9-15-14(16)7-6-8-17(15)20-13-11-18(2,3)4/h6-8,16,19H,5,9-13H2,1-4H3.
What are the key properties of 4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine?
4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63485329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).