1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine

C14H20N2 — CID 98010705

IUPAC1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine
SMILESCc1cc2[nH]cc(CC(C)(C)N)c2cc1C
InChIInChI=1S/C14H20N2/c1-9-5-12-11(7-14(3,4)15)8-16-13(12)6-10(9)2/h5-6,8,16H,7,15H2,1-4H3
InChIKeySBSGKYFWWCQEOS-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.06
Rot. Bonds2

About 1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine

1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine (PubChem CID 98010705) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine
PubChem CID98010705
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine
SMILESCc1cc2[nH]cc(CC(C)(C)N)c2cc1C
InChIInChI=1S/C14H20N2/c1-9-5-12-11(7-14(3,4)15)8-16-13(12)6-10(9)2/h5-6,8,16H,7,15H2,1-4H3
InChIKeySBSGKYFWWCQEOS-UHFFFAOYSA-N
XLogP3.06
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine (CID 98010705) is 1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine is Cc1cc2[nH]cc(CC(C)(C)N)c2cc1C.
What is the InChIKey of 1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine?
The InChIKey is SBSGKYFWWCQEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-9-5-12-11(7-14(3,4)15)8-16-13(12)6-10(9)2/h5-6,8,16H,7,15H2,1-4H3.
What are the key properties of 1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine?
1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine has a molecular weight of 216.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 98010705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).