1-(5-methylindol-1-yl)propan-2-amine

C12H16N2 — CID 10845306

IUPAC1-(5-methylindol-1-yl)propan-2-amine
SMILESCc1ccc2c(ccn2CC(C)N)c1
InChIInChI=1S/C12H16N2/c1-9-3-4-12-11(7-9)5-6-14(12)8-10(2)13/h3-7,10H,8,13H2,1-2H3
InChIKeyWETMFNBRIOBNTK-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.30
Rot. Bonds2

About 1-(5-methylindol-1-yl)propan-2-amine

1-(5-methylindol-1-yl)propan-2-amine (PubChem CID 10845306) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(5-methylindol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-methylindol-1-yl)propan-2-amine
PubChem CID10845306
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(5-methylindol-1-yl)propan-2-amine
SMILESCc1ccc2c(ccn2CC(C)N)c1
InChIInChI=1S/C12H16N2/c1-9-3-4-12-11(7-9)5-6-14(12)8-10(2)13/h3-7,10H,8,13H2,1-2H3
InChIKeyWETMFNBRIOBNTK-UHFFFAOYSA-N
XLogP2.30
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Indole
CID 798
N,N-Dimethyltryptamine
CID 6089
Skatole
CID 6736
Sumatriptan
CID 5358
Tryptamine
CID 1150
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
(-)-Agroclavine
CID 73484
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Latrepirdine
CID 197033

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylindol-1-yl)propan-2-amine?
The IUPAC name of 1-(5-methylindol-1-yl)propan-2-amine (CID 10845306) is 1-(5-methylindol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(5-methylindol-1-yl)propan-2-amine?
The canonical SMILES for 1-(5-methylindol-1-yl)propan-2-amine is Cc1ccc2c(ccn2CC(C)N)c1.
What is the InChIKey of 1-(5-methylindol-1-yl)propan-2-amine?
The InChIKey is WETMFNBRIOBNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-3-4-12-11(7-9)5-6-14(12)8-10(2)13/h3-7,10H,8,13H2,1-2H3.
What are the key properties of 1-(5-methylindol-1-yl)propan-2-amine?
1-(5-methylindol-1-yl)propan-2-amine has a molecular weight of 188.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylindol-1-yl)propan-2-amine is sourced from PubChem (CID 10845306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).