N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine

C16H24N2 — CID 6091

IUPACN-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyBOOQTIHIKDDPRW-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.83
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine

N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine (PubChem CID 6091) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
PubChem CID6091
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyBOOQTIHIKDDPRW-UHFFFAOYSA-N
XLogP3.83
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine (CID 6091) is N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine is CCCN(CCC)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine?
The InChIKey is BOOQTIHIKDDPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine?
N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 6091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).