(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine

C13H18N2 — CID 171197987

IUPAC(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1c[nH]c2ccccc12
InChIInChI=1S/C13H18N2/c1-3-9(2)13(14)11-8-15-12-7-5-4-6-10(11)12/h4-9,13,15H,3,14H2,1-2H3/t9?,13-/m1/s1
InChIKeyRVDMXWHLTNRWJA-WCRCJTMVSA-N
MW202.30 g/mol
LogP3.21
Rot. Bonds3

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

(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine (PubChem CID 171197987) 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-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine
PubChem CID171197987
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1c[nH]c2ccccc12
InChIInChI=1S/C13H18N2/c1-3-9(2)13(14)11-8-15-12-7-5-4-6-10(11)12/h4-9,13,15H,3,14H2,1-2H3/t9?,13-/m1/s1
InChIKeyRVDMXWHLTNRWJA-WCRCJTMVSA-N
XLogP3.21
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
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

3-propan-2-yl-1H-indole
CID 12534824
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
2-[amino(1H-indol-3-yl)methyl]-3-methylbutanenitrile
CID 116946345
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 116935052
N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine
CID 116934899
3-amino-3-(1H-indol-3-yl)-N,2-dimethylpropanamide
CID 59878227
chloro 2-(1H-indol-3-yl)butanoate
CID 174769517
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
CID 131535143
ethyl (2R,3R)-2-hydroxy-3-(1H-indol-3-yl)butanoate
CID 14735622
(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride
CID 171197968

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine?
The IUPAC name of (1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine (CID 171197987) is (1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine is CCC(C)[C@@H](N)c1c[nH]c2ccccc12.
What is the InChIKey of (1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine?
The InChIKey is RVDMXWHLTNRWJA-WCRCJTMVSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-9(2)13(14)11-8-15-12-7-5-4-6-10(11)12/h4-9,13,15H,3,14H2,1-2H3/t9?,13-/m1/s1.
What are the key properties of (1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine?
(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 3.21, 3 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-methylbutan-1-amine is sourced from PubChem (CID 171197987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).