(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine

C15H22N2 — CID 140726561

IUPAC(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
SMILESCC(C)C(N)[C@H](C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H22N2/c1-10(2)15(16)11(3)8-12-9-17-14-7-5-4-6-13(12)14/h4-7,9-11,15,17H,8,16H2,1-3H3/t11-,15?/m1/s1
InChIKeyCLURKTYIYHXMEZ-ZRKZCGFPSA-N
MW230.36 g/mol
LogP3.33
Rot. Bonds4

About (2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine

(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine (PubChem CID 140726561) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is (2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
PubChem CID140726561
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
SMILESCC(C)C(N)[C@H](C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H22N2/c1-10(2)15(16)11(3)8-12-9-17-14-7-5-4-6-13(12)14/h4-7,9-11,15,17H,8,16H2,1-3H3/t11-,15?/m1/s1
InChIKeyCLURKTYIYHXMEZ-ZRKZCGFPSA-N
XLogP3.33
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140660880
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
1-(1H-indol-3-yl)butan-2-amine
CID 8367
3-(2-fluoropropyl)-1H-indole
CID 142409179
CID 90360713
CID 90360713
2-amino-3-(1H-indol-3-yl)propanal;methanol
CID 144925794
2-amino-3-(1H-indol-3-yl)propanal;methoxymethane
CID 144925786
(2S)-2-amino-3-(1H-indol-3-yl)propane-1-thiol
CID 141276823
1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine
CID 130443458
ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine
CID 143255366
2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
CID 19078905
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine?
The IUPAC name of (2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine (CID 140726561) is (2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine.
What is the SMILES notation for (2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine?
The canonical SMILES for (2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine is CC(C)C(N)[C@H](C)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine?
The InChIKey is CLURKTYIYHXMEZ-ZRKZCGFPSA-N. The full InChI is InChI=1S/C15H22N2/c1-10(2)15(16)11(3)8-12-9-17-14-7-5-4-6-13(12)14/h4-7,9-11,15,17H,8,16H2,1-3H3/t11-,15?/m1/s1.
What are the key properties of (2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine?
(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine has a molecular weight of 230.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine is sourced from PubChem (CID 140726561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).