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

C17H25N — CID 3068090

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)Cc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C17H25N/c1-17(2,18-3)11-16-14-8-4-6-12(14)10-13-7-5-9-15(13)16/h10,18H,4-9,11H2,1-3H3
InChIKeySHYMBVCIXLZRKP-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.20
Rot. Bonds3

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

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N,2-dimethylpropan-2-amine (PubChem CID 3068090) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N,2-dimethylpropan-2-amine
PubChem CID3068090
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)Cc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C17H25N/c1-17(2,18-3)11-16-14-8-4-6-12(14)10-13-7-5-9-15(13)16/h10,18H,4-9,11H2,1-3H3
InChIKeySHYMBVCIXLZRKP-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.20
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,2-dimethylpropan-2-amine?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N,2-dimethylpropan-2-amine (CID 3068090) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N,2-dimethylpropan-2-amine is CNC(C)(C)Cc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N,2-dimethylpropan-2-amine?
The InChIKey is SHYMBVCIXLZRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-17(2,18-3)11-16-14-8-4-6-12(14)10-13-7-5-9-15(13)16/h10,18H,4-9,11H2,1-3H3.
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N,2-dimethylpropan-2-amine?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N,2-dimethylpropan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 3.20, 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,2-dimethylpropan-2-amine is sourced from PubChem (CID 3068090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).