2-(3-ethyl-4-methylpiperazin-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine

C17H27N3O — CID 79370890

IUPAC2-(3-ethyl-4-methylpiperazin-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCC1CN(C2Cc3ccc(OC)cc3C2N)CCN1C
InChIInChI=1S/C17H27N3O/c1-4-13-11-20(8-7-19(13)2)16-9-12-5-6-14(21-3)10-15(12)17(16)18/h5-6,10,13,16-17H,4,7-9,11,18H2,1-3H3
InChIKeyIFCUBJLBTGQXQS-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.65
Rot. Bonds3

About 2-(3-ethyl-4-methylpiperazin-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine

2-(3-ethyl-4-methylpiperazin-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 79370890) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpiperazin-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpiperazin-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID79370890
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(3-ethyl-4-methylpiperazin-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCC1CN(C2Cc3ccc(OC)cc3C2N)CCN1C
InChIInChI=1S/C17H27N3O/c1-4-13-11-20(8-7-19(13)2)16-9-12-5-6-14(21-3)10-15(12)17(16)18/h5-6,10,13,16-17H,4,7-9,11,18H2,1-3H3
InChIKeyIFCUBJLBTGQXQS-UHFFFAOYSA-N
XLogP1.65
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethylmorpholin-4-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374609
6-methoxy-2-(3-methylmorpholin-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 79375025
2-(3,5-diethylpyrazol-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 82695753
2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374666
N-ethyl-6-methoxy-2-(3-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79370488
6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79370654
2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368756
2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79234485
2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79230789
7-methoxy-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248446
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115559637
2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline
CID 63604734

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 79370890) is 2-(3-ethyl-4-methylpiperazin-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(3-ethyl-4-methylpiperazin-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(3-ethyl-4-methylpiperazin-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine is CCC1CN(C2Cc3ccc(OC)cc3C2N)CCN1C.
What is the InChIKey of 2-(3-ethyl-4-methylpiperazin-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is IFCUBJLBTGQXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-13-11-20(8-7-19(13)2)16-9-12-5-6-14(21-3)10-15(12)17(16)18/h5-6,10,13,16-17H,4,7-9,11,18H2,1-3H3.
What are the key properties of 2-(3-ethyl-4-methylpiperazin-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
2-(3-ethyl-4-methylpiperazin-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 289.42 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylpiperazin-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79370890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).