4-(4,7-dimethyl-1H-indol-3-yl)butan-2-amine

C14H20N2 — CID 82493191

IUPAC4-(4,7-dimethyl-1H-indol-3-yl)butan-2-amine
SMILESCc1ccc(C)c2c(CCC(C)N)c[nH]c12
InChIInChI=1S/C14H20N2/c1-9-4-5-10(2)14-13(9)12(8-16-14)7-6-11(3)15/h4-5,8,11,16H,6-7,15H2,1-3H3
InChIKeyZOTLWELKEFWOCB-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.06
Rot. Bonds3

About 4-(4,7-dimethyl-1H-indol-3-yl)butan-2-amine

4-(4,7-dimethyl-1H-indol-3-yl)butan-2-amine (PubChem CID 82493191) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4-(4,7-dimethyl-1H-indol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-(4,7-dimethyl-1H-indol-3-yl)butan-2-amine
PubChem CID82493191
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4-(4,7-dimethyl-1H-indol-3-yl)butan-2-amine
SMILESCc1ccc(C)c2c(CCC(C)N)c[nH]c12
InChIInChI=1S/C14H20N2/c1-9-4-5-10(2)14-13(9)12(8-16-14)7-6-11(3)15/h4-5,8,11,16H,6-7,15H2,1-3H3
InChIKeyZOTLWELKEFWOCB-UHFFFAOYSA-N
XLogP3.06
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4,7-dimethyl-1H-indol-3-yl)butan-2-amine?
The IUPAC name of 4-(4,7-dimethyl-1H-indol-3-yl)butan-2-amine (CID 82493191) is 4-(4,7-dimethyl-1H-indol-3-yl)butan-2-amine.
What is the SMILES notation for 4-(4,7-dimethyl-1H-indol-3-yl)butan-2-amine?
The canonical SMILES for 4-(4,7-dimethyl-1H-indol-3-yl)butan-2-amine is Cc1ccc(C)c2c(CCC(C)N)c[nH]c12.
What is the InChIKey of 4-(4,7-dimethyl-1H-indol-3-yl)butan-2-amine?
The InChIKey is ZOTLWELKEFWOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-9-4-5-10(2)14-13(9)12(8-16-14)7-6-11(3)15/h4-5,8,11,16H,6-7,15H2,1-3H3.
What are the key properties of 4-(4,7-dimethyl-1H-indol-3-yl)butan-2-amine?
4-(4,7-dimethyl-1H-indol-3-yl)butan-2-amine has a molecular weight of 216.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,7-dimethyl-1H-indol-3-yl)butan-2-amine is sourced from PubChem (CID 82493191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).