2-(4,6-dimethyl-1H-indol-3-yl)-2-methylpropan-1-amine

C14H20N2 — CID 82493165

IUPAC2-(4,6-dimethyl-1H-indol-3-yl)-2-methylpropan-1-amine
SMILESCc1cc(C)c2c(C(C)(C)CN)c[nH]c2c1
InChIInChI=1S/C14H20N2/c1-9-5-10(2)13-11(14(3,4)8-15)7-16-12(13)6-9/h5-7,16H,8,15H2,1-4H3
InChIKeyCFODSWIZWNQPNX-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.02
Rot. Bonds2

About 2-(4,6-dimethyl-1H-indol-3-yl)-2-methylpropan-1-amine

2-(4,6-dimethyl-1H-indol-3-yl)-2-methylpropan-1-amine (PubChem CID 82493165) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1H-indol-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4,6-dimethyl-1H-indol-3-yl)-2-methylpropan-1-amine
PubChem CID82493165
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(4,6-dimethyl-1H-indol-3-yl)-2-methylpropan-1-amine
SMILESCc1cc(C)c2c(C(C)(C)CN)c[nH]c2c1
InChIInChI=1S/C14H20N2/c1-9-5-10(2)13-11(14(3,4)8-15)7-16-12(13)6-9/h5-7,16H,8,15H2,1-4H3
InChIKeyCFODSWIZWNQPNX-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4,6-dimethyl-1H-indol-3-yl)-N-methylpropan-2-amine
CID 84622454
N-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine
CID 82497754
2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine
CID 82497725
3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine
CID 174508163
1-(4,6-dimethyl-1H-indol-3-yl)cyclopropan-1-amine
CID 82397432
methyl 2-(4,6-dimethyl-1H-indol-3-yl)-2-oxoacetate
CID 84740886
(2S)-2-amino-3-(4,6-dimethyl-1H-indol-3-yl)propanoic acid
CID 96598910
2-(4-tert-butyl-2-methylphenyl)-2-methylpropan-1-amine
CID 82472490
N,4,6-trimethyl-1H-indole-3-carboxamide
CID 118475596
2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine
CID 82397045
4-(4,6-dimethyl-1H-indol-3-yl)butanoic acid
CID 82390563
2-(4,6-dimethyl-1H-indol-3-yl)propanoic acid
CID 67337571

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1H-indol-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(4,6-dimethyl-1H-indol-3-yl)-2-methylpropan-1-amine (CID 82493165) is 2-(4,6-dimethyl-1H-indol-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4,6-dimethyl-1H-indol-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(4,6-dimethyl-1H-indol-3-yl)-2-methylpropan-1-amine is Cc1cc(C)c2c(C(C)(C)CN)c[nH]c2c1.
What is the InChIKey of 2-(4,6-dimethyl-1H-indol-3-yl)-2-methylpropan-1-amine?
The InChIKey is CFODSWIZWNQPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-9-5-10(2)13-11(14(3,4)8-15)7-16-12(13)6-9/h5-7,16H,8,15H2,1-4H3.
What are the key properties of 2-(4,6-dimethyl-1H-indol-3-yl)-2-methylpropan-1-amine?
2-(4,6-dimethyl-1H-indol-3-yl)-2-methylpropan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1H-indol-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 82493165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).