3-(1,2,6-trimethylindol-3-yl)propan-1-amine

C14H20N2 — CID 82493187

IUPAC3-(1,2,6-trimethylindol-3-yl)propan-1-amine
SMILESCc1ccc2c(CCCN)c(C)n(C)c2c1
InChIInChI=1S/C14H20N2/c1-10-6-7-13-12(5-4-8-15)11(2)16(3)14(13)9-10/h6-7,9H,4-5,8,15H2,1-3H3
InChIKeyCPYSOCLQYNGODS-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.69
Rot. Bonds3

About 3-(1,2,6-trimethylindol-3-yl)propan-1-amine

3-(1,2,6-trimethylindol-3-yl)propan-1-amine (PubChem CID 82493187) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-(1,2,6-trimethylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,2,6-trimethylindol-3-yl)propan-1-amine
PubChem CID82493187
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-(1,2,6-trimethylindol-3-yl)propan-1-amine
SMILESCc1ccc2c(CCCN)c(C)n(C)c2c1
InChIInChI=1S/C14H20N2/c1-10-6-7-13-12(5-4-8-15)11(2)16(3)14(13)9-10/h6-7,9H,4-5,8,15H2,1-3H3
InChIKeyCPYSOCLQYNGODS-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(6-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495889
4-(1,2,6-trimethylindol-3-yl)butan-2-amine
CID 82495296
3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82500218
2-(1,2,6-trimethylindol-3-yl)acetic acid
CID 82493301
(6-chloro-1,2-dimethylindol-3-yl)methanamine
CID 82492537
N,N-dimethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
CID 59939722
2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol
CID 82493660
N,N-dimethyl-3-(1,2,5-trimethylindol-3-yl)propan-1-amine
CID 170866976
3-(3,6-dimethylcarbazol-9-yl)propan-1-amine
CID 58183726
2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine
CID 82498772
3-(aminomethyl)-1,4,7-trimethylquinolin-2-one
CID 84622309
3-(1,2,5-trimethylindol-3-yl)propanenitrile
CID 82492674

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,6-trimethylindol-3-yl)propan-1-amine?
The IUPAC name of 3-(1,2,6-trimethylindol-3-yl)propan-1-amine (CID 82493187) is 3-(1,2,6-trimethylindol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(1,2,6-trimethylindol-3-yl)propan-1-amine?
The canonical SMILES for 3-(1,2,6-trimethylindol-3-yl)propan-1-amine is Cc1ccc2c(CCCN)c(C)n(C)c2c1.
What is the InChIKey of 3-(1,2,6-trimethylindol-3-yl)propan-1-amine?
The InChIKey is CPYSOCLQYNGODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-6-7-13-12(5-4-8-15)11(2)16(3)14(13)9-10/h6-7,9H,4-5,8,15H2,1-3H3.
What are the key properties of 3-(1,2,6-trimethylindol-3-yl)propan-1-amine?
3-(1,2,6-trimethylindol-3-yl)propan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,6-trimethylindol-3-yl)propan-1-amine is sourced from PubChem (CID 82493187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).