3-(5,7-dimethylindol-1-yl)propan-1-amine

C13H18N2 — CID 82491687

IUPAC3-(5,7-dimethylindol-1-yl)propan-1-amine
SMILESCc1cc(C)c2c(ccn2CCCN)c1
InChIInChI=1S/C13H18N2/c1-10-8-11(2)13-12(9-10)4-7-15(13)6-3-5-14/h4,7-9H,3,5-6,14H2,1-2H3
InChIKeyBPRQGZGFOYLBAB-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.61
Rot. Bonds3

About 3-(5,7-dimethylindol-1-yl)propan-1-amine

3-(5,7-dimethylindol-1-yl)propan-1-amine (PubChem CID 82491687) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(5,7-dimethylindol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5,7-dimethylindol-1-yl)propan-1-amine
PubChem CID82491687
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-(5,7-dimethylindol-1-yl)propan-1-amine
SMILESCc1cc(C)c2c(ccn2CCCN)c1
InChIInChI=1S/C13H18N2/c1-10-8-11(2)13-12(9-10)4-7-15(13)6-3-5-14/h4,7-9H,3,5-6,14H2,1-2H3
InChIKeyBPRQGZGFOYLBAB-UHFFFAOYSA-N
XLogP2.61
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5,7-dimethylindol-1-yl)butan-1-amine
CID 83968682
2-(5,7-dimethylindol-1-yl)ethanamine
CID 82490847
2-(5-chloro-7-methylindol-1-yl)ethanamine
CID 130281365
2-(4-aminobutyl)-6-methylisoquinolin-1-one
CID 82063079
4-(5,7-dimethoxyindol-1-yl)butan-1-amine
CID 83968623
3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine
CID 83948572
3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol
CID 83944989
3-indol-1-ylpropan-1-amine
CID 2512786
2-(4,6-dimethylindol-1-yl)ethanamine
CID 82490848
2-(5-methylindol-1-yl)ethanamine;hydrochloride
CID 91640635
tert-butyl 2-(5,7-dimethylindol-1-yl)acetate
CID 70291358
5,7-dimethylindole-1-carbothioamide
CID 91417032

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethylindol-1-yl)propan-1-amine?
The IUPAC name of 3-(5,7-dimethylindol-1-yl)propan-1-amine (CID 82491687) is 3-(5,7-dimethylindol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(5,7-dimethylindol-1-yl)propan-1-amine?
The canonical SMILES for 3-(5,7-dimethylindol-1-yl)propan-1-amine is Cc1cc(C)c2c(ccn2CCCN)c1.
What is the InChIKey of 3-(5,7-dimethylindol-1-yl)propan-1-amine?
The InChIKey is BPRQGZGFOYLBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-8-11(2)13-12(9-10)4-7-15(13)6-3-5-14/h4,7-9H,3,5-6,14H2,1-2H3.
What are the key properties of 3-(5,7-dimethylindol-1-yl)propan-1-amine?
3-(5,7-dimethylindol-1-yl)propan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethylindol-1-yl)propan-1-amine is sourced from PubChem (CID 82491687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).