N-ethyl-4-(2-methylpentoxy)-2,3-dihydro-1H-inden-1-amine

C17H27NO — CID 63091549

IUPACN-ethyl-4-(2-methylpentoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCCCC(C)COc1cccc2c1CCC2NCC
InChIInChI=1S/C17H27NO/c1-4-7-13(3)12-19-17-9-6-8-14-15(17)10-11-16(14)18-5-2/h6,8-9,13,16,18H,4-5,7,10-12H2,1-3H3
InChIKeyVSPMWJTYSSKBGB-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.10
Rot. Bonds7

About N-ethyl-4-(2-methylpentoxy)-2,3-dihydro-1H-inden-1-amine

N-ethyl-4-(2-methylpentoxy)-2,3-dihydro-1H-inden-1-amine (PubChem CID 63091549) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-4-(2-methylpentoxy)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylpentoxy)-2,3-dihydro-1H-inden-1-amine
PubChem CID63091549
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-ethyl-4-(2-methylpentoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCCCC(C)COc1cccc2c1CCC2NCC
InChIInChI=1S/C17H27NO/c1-4-7-13(3)12-19-17-9-6-8-14-15(17)10-11-16(14)18-5-2/h6,8-9,13,16,18H,4-5,7,10-12H2,1-3H3
InChIKeyVSPMWJTYSSKBGB-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylpentoxy)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-ethyl-4-(2-methylpentoxy)-2,3-dihydro-1H-inden-1-amine (CID 63091549) is N-ethyl-4-(2-methylpentoxy)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-ethyl-4-(2-methylpentoxy)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-ethyl-4-(2-methylpentoxy)-2,3-dihydro-1H-inden-1-amine is CCCC(C)COc1cccc2c1CCC2NCC.
What is the InChIKey of N-ethyl-4-(2-methylpentoxy)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VSPMWJTYSSKBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-7-13(3)12-19-17-9-6-8-14-15(17)10-11-16(14)18-5-2/h6,8-9,13,16,18H,4-5,7,10-12H2,1-3H3.
What are the key properties of N-ethyl-4-(2-methylpentoxy)-2,3-dihydro-1H-inden-1-amine?
N-ethyl-4-(2-methylpentoxy)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylpentoxy)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63091549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).