3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine

C16H24N2 — CID 83948572

IUPAC3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine
SMILESCCCc1cn(CCCN)c2c(C)cc(C)cc12
InChIInChI=1S/C16H24N2/c1-4-6-14-11-18(8-5-7-17)16-13(3)9-12(2)10-15(14)16/h9-11H,4-8,17H2,1-3H3
InChIKeyILEBEQWWAUSLEM-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.56
Rot. Bonds5

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

3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine (PubChem CID 83948572) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine
PubChem CID83948572
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine
SMILESCCCc1cn(CCCN)c2c(C)cc(C)cc12
InChIInChI=1S/C16H24N2/c1-4-6-14-11-18(8-5-7-17)16-13(3)9-12(2)10-15(14)16/h9-11H,4-8,17H2,1-3H3
InChIKeyILEBEQWWAUSLEM-UHFFFAOYSA-N
XLogP3.56
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine?
The IUPAC name of 3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine (CID 83948572) is 3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine?
The canonical SMILES for 3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine is CCCc1cn(CCCN)c2c(C)cc(C)cc12.
What is the InChIKey of 3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine?
The InChIKey is ILEBEQWWAUSLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-6-14-11-18(8-5-7-17)16-13(3)9-12(2)10-15(14)16/h9-11H,4-8,17H2,1-3H3.
What are the key properties of 3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine?
3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine is sourced from PubChem (CID 83948572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).