1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine

C16H23N — CID 3068088

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C16H23N/c1-11(17-2)9-16-14-7-3-5-12(14)10-13-6-4-8-15(13)16/h10-11,17H,3-9H2,1-2H3
InChIKeyXGQVVLYMEYREAZ-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.81
Rot. Bonds3

About 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine (PubChem CID 3068088) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine
PubChem CID3068088
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C16H23N/c1-11(17-2)9-16-14-7-3-5-12(14)10-13-6-4-8-15(13)16/h10-11,17H,3-9H2,1-2H3
InChIKeyXGQVVLYMEYREAZ-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine (CID 3068088) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine is CNC(C)Cc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine?
The InChIKey is XGQVVLYMEYREAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-11(17-2)9-16-14-7-3-5-12(14)10-13-6-4-8-15(13)16/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine has a molecular weight of 229.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 3068088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).