5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine

C19H31NO2 — CID 23209354

IUPAC5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCC)C1Cc2cc(COC)c(COC)cc2C1
InChIInChI=1S/C19H31NO2/c1-5-7-20(8-6-2)19-11-15-9-17(13-21-3)18(14-22-4)10-16(15)12-19/h9-10,19H,5-8,11-14H2,1-4H3
InChIKeyRMIUAFKDIIBTEP-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.57
Rot. Bonds9

About 5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine

5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 23209354) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
PubChem CID23209354
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCC)C1Cc2cc(COC)c(COC)cc2C1
InChIInChI=1S/C19H31NO2/c1-5-7-20(8-6-2)19-11-15-9-17(13-21-3)18(14-22-4)10-16(15)12-19/h9-10,19H,5-8,11-14H2,1-4H3
InChIKeyRMIUAFKDIIBTEP-UHFFFAOYSA-N
XLogP3.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine (CID 23209354) is 5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine is CCCN(CCC)C1Cc2cc(COC)c(COC)cc2C1.
What is the InChIKey of 5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is RMIUAFKDIIBTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-5-7-20(8-6-2)19-11-15-9-17(13-21-3)18(14-22-4)10-16(15)12-19/h9-10,19H,5-8,11-14H2,1-4H3.
What are the key properties of 5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 305.46 g/mol, XLogP of 3.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 23209354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).