N-ethyl-2-(3-methoxy-3-methylbutyl)-2,3-dihydro-1H-inden-1-amine

C17H27NO — CID 103034570

IUPACN-ethyl-2-(3-methoxy-3-methylbutyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1c2ccccc2CC1CCC(C)(C)OC
InChIInChI=1S/C17H27NO/c1-5-18-16-14(10-11-17(2,3)19-4)12-13-8-6-7-9-15(13)16/h6-9,14,16,18H,5,10-12H2,1-4H3
InChIKeyBPOZVXZCSOVTEL-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.71
Rot. Bonds6

About N-ethyl-2-(3-methoxy-3-methylbutyl)-2,3-dihydro-1H-inden-1-amine

N-ethyl-2-(3-methoxy-3-methylbutyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 103034570) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxy-3-methylbutyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxy-3-methylbutyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID103034570
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-ethyl-2-(3-methoxy-3-methylbutyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1c2ccccc2CC1CCC(C)(C)OC
InChIInChI=1S/C17H27NO/c1-5-18-16-14(10-11-17(2,3)19-4)12-13-8-6-7-9-15(13)16/h6-9,14,16,18H,5,10-12H2,1-4H3
InChIKeyBPOZVXZCSOVTEL-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxy-3-methylbutyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-ethyl-2-(3-methoxy-3-methylbutyl)-2,3-dihydro-1H-inden-1-amine (CID 103034570) is N-ethyl-2-(3-methoxy-3-methylbutyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-ethyl-2-(3-methoxy-3-methylbutyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-ethyl-2-(3-methoxy-3-methylbutyl)-2,3-dihydro-1H-inden-1-amine is CCNC1c2ccccc2CC1CCC(C)(C)OC.
What is the InChIKey of N-ethyl-2-(3-methoxy-3-methylbutyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BPOZVXZCSOVTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-18-16-14(10-11-17(2,3)19-4)12-13-8-6-7-9-15(13)16/h6-9,14,16,18H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-2-(3-methoxy-3-methylbutyl)-2,3-dihydro-1H-inden-1-amine?
N-ethyl-2-(3-methoxy-3-methylbutyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxy-3-methylbutyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103034570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).