(1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine

C13H18N2 — CID 171205624

IUPAC(1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H18N2/c1-3-9(2)13(14)11-5-4-10-6-7-15-12(10)8-11/h4-9,13,15H,3,14H2,1-2H3/t9?,13-/m1/s1
InChIKeyHWNGFRHXZLFXRK-WCRCJTMVSA-N
MW202.30 g/mol
LogP3.21
Rot. Bonds3

About (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine

(1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine (PubChem CID 171205624) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine
PubChem CID171205624
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H18N2/c1-3-9(2)13(14)11-5-4-10-6-7-15-12(10)8-11/h4-9,13,15H,3,14H2,1-2H3/t9?,13-/m1/s1
InChIKeyHWNGFRHXZLFXRK-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

(1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol
CID 131064485
(1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
CID 171268293
(1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
CID 171262620
(1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride
CID 171225201
(1S)-1-(1H-indol-6-yl)pentan-1-amine
CID 171225173
(1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride
CID 171262623
6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole
CID 171305318
2-methyl-1-naphthalen-2-ylbutan-1-amine
CID 63718165
3-(1H-indol-6-yl)butan-1-amine
CID 82602760
(1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine
CID 131447167
ethyl (3S)-3-amino-3-(1H-indol-6-yl)propanoate
CID 171225204
1-(1H-indol-6-yl)propane-1,3-diamine
CID 131197541

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine?
The IUPAC name of (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine (CID 171205624) is (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine is CCC(C)[C@@H](N)c1ccc2cc[nH]c2c1.
What is the InChIKey of (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine?
The InChIKey is HWNGFRHXZLFXRK-WCRCJTMVSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-9(2)13(14)11-5-4-10-6-7-15-12(10)8-11/h4-9,13,15H,3,14H2,1-2H3/t9?,13-/m1/s1.
What are the key properties of (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine?
(1R)-1-(1H-indol-6-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-6-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 171205624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).