(2S)-3-methyl-1-(3-methylindol-1-yl)butan-2-amine

C14H20N2 — CID 59622325

IUPAC(2S)-3-methyl-1-(3-methylindol-1-yl)butan-2-amine
SMILESCc1cn(C[C@@H](N)C(C)C)c2ccccc12
InChIInChI=1S/C14H20N2/c1-10(2)13(15)9-16-8-11(3)12-6-4-5-7-14(12)16/h4-8,10,13H,9,15H2,1-3H3/t13-/m1/s1
InChIKeyXMFXRPPGWHHWNX-CYBMUJFWSA-N
MW216.33 g/mol
LogP2.93
Rot. Bonds3

About (2S)-3-methyl-1-(3-methylindol-1-yl)butan-2-amine

(2S)-3-methyl-1-(3-methylindol-1-yl)butan-2-amine (PubChem CID 59622325) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (2S)-3-methyl-1-(3-methylindol-1-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-3-methyl-1-(3-methylindol-1-yl)butan-2-amine
PubChem CID59622325
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(2S)-3-methyl-1-(3-methylindol-1-yl)butan-2-amine
SMILESCc1cn(C[C@@H](N)C(C)C)c2ccccc12
InChIInChI=1S/C14H20N2/c1-10(2)13(15)9-16-8-11(3)12-6-4-5-7-14(12)16/h4-8,10,13H,9,15H2,1-3H3/t13-/m1/s1
InChIKeyXMFXRPPGWHHWNX-CYBMUJFWSA-N
XLogP2.93
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-1-(3-methylindol-1-yl)butan-2-amine?
The IUPAC name of (2S)-3-methyl-1-(3-methylindol-1-yl)butan-2-amine (CID 59622325) is (2S)-3-methyl-1-(3-methylindol-1-yl)butan-2-amine.
What is the SMILES notation for (2S)-3-methyl-1-(3-methylindol-1-yl)butan-2-amine?
The canonical SMILES for (2S)-3-methyl-1-(3-methylindol-1-yl)butan-2-amine is Cc1cn(C[C@@H](N)C(C)C)c2ccccc12.
What is the InChIKey of (2S)-3-methyl-1-(3-methylindol-1-yl)butan-2-amine?
The InChIKey is XMFXRPPGWHHWNX-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2/c1-10(2)13(15)9-16-8-11(3)12-6-4-5-7-14(12)16/h4-8,10,13H,9,15H2,1-3H3/t13-/m1/s1.
What are the key properties of (2S)-3-methyl-1-(3-methylindol-1-yl)butan-2-amine?
(2S)-3-methyl-1-(3-methylindol-1-yl)butan-2-amine has a molecular weight of 216.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-1-(3-methylindol-1-yl)butan-2-amine is sourced from PubChem (CID 59622325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).