2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine

C14H20N2 — CID 116996491

IUPAC2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine
SMILESCc1c[nH]c2ccc(CC(C)(C)CN)cc12
InChIInChI=1S/C14H20N2/c1-10-8-16-13-5-4-11(6-12(10)13)7-14(2,3)9-15/h4-6,8,16H,7,9,15H2,1-3H3
InChIKeyJBYUZQOWFGRVIW-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.00
Rot. Bonds3

About 2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine

2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine (PubChem CID 116996491) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine
PubChem CID116996491
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine
SMILESCc1c[nH]c2ccc(CC(C)(C)CN)cc12
InChIInChI=1S/C14H20N2/c1-10-8-16-13-5-4-11(6-12(10)13)7-14(2,3)9-15/h4-6,8,16H,7,9,15H2,1-3H3
InChIKeyJBYUZQOWFGRVIW-UHFFFAOYSA-N
XLogP3.00
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methyl-1H-indol-5-yl)butan-1-amine
CID 117291124
[4-(3-methyl-1H-indol-5-yl)phenyl]methanamine
CID 116996502
3-(2,4-dimethylquinolin-6-yl)-2,2-dimethylpropan-1-amine
CID 82577007
3,5-dimethyl-1H-indole
CID 142943492
1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol
CID 117290213
3-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739590
3-(8-fluoro-4-methylquinolin-6-yl)-2,2-dimethylpropan-1-amine
CID 82577023
3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine
CID 174508163
5-ethoxy-3-methyl-1H-indole
CID 82490542
2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride
CID 122240080
3-(4-methoxy-2-methylquinolin-6-yl)-2,2-dimethylpropan-1-amine
CID 82577143
3-(4-bromophenyl)-2,2-dimethylpropan-1-amine
CID 56687188

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine (CID 116996491) is 2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine is Cc1c[nH]c2ccc(CC(C)(C)CN)cc12.
What is the InChIKey of 2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine?
The InChIKey is JBYUZQOWFGRVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-8-16-13-5-4-11(6-12(10)13)7-14(2,3)9-15/h4-6,8,16H,7,9,15H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine?
2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine is sourced from PubChem (CID 116996491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).