(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine

C13H18N2 — CID 131535143

IUPAC(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1c[nH]c2ccccc12
InChIInChI=1S/C13H18N2/c1-13(2,3)12(14)10-8-15-11-7-5-4-6-9(10)11/h4-8,12,15H,14H2,1-3H3/t12-/m0/s1
InChIKeyWMAKZZJSZZLBEC-LBPRGKRZSA-N
MW202.30 g/mol
LogP3.21
Rot. Bonds1

About (1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine

(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine (PubChem CID 131535143) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
PubChem CID131535143
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1c[nH]c2ccccc12
InChIInChI=1S/C13H18N2/c1-13(2,3)12(14)10-8-15-11-7-5-4-6-9(10)11/h4-8,12,15H,14H2,1-3H3/t12-/m0/s1
InChIKeyWMAKZZJSZZLBEC-LBPRGKRZSA-N
XLogP3.21
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine
CID 42553559
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
3-propan-2-yl-1H-indole
CID 12534824
(3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride
CID 171245512
ethyl (3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propanoate
CID 171245503
1-(1H-indol-3-yl)prop-2-en-1-amine
CID 55294436
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde
CID 175028483
2-[amino(1H-indol-3-yl)methyl]-3-methylbutanenitrile
CID 116946345
(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine
CID 171197987
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
(1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride
CID 171197962

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of (1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine (CID 131535143) is (1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine is CC(C)(C)[C@@H](N)c1c[nH]c2ccccc12.
What is the InChIKey of (1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is WMAKZZJSZZLBEC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2/c1-13(2,3)12(14)10-8-15-11-7-5-4-6-9(10)11/h4-8,12,15H,14H2,1-3H3/t12-/m0/s1.
What are the key properties of (1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine?
(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 131535143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).