N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine

C18H25N3 — CID 66402698

IUPACN-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)c(CNC1CC1)cn2CCN1CCCC1
InChIInChI=1S/C18H25N3/c1-2-6-18-17(5-1)15(13-19-16-7-8-16)14-21(18)12-11-20-9-3-4-10-20/h1-2,5-6,14,16,19H,3-4,7-13H2
InChIKeyQOIFOCNXOPAGIH-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.99
Rot. Bonds6

About N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine

N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine (PubChem CID 66402698) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine
PubChem CID66402698
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)c(CNC1CC1)cn2CCN1CCCC1
InChIInChI=1S/C18H25N3/c1-2-6-18-17(5-1)15(13-19-16-7-8-16)14-21(18)12-11-20-9-3-4-10-20/h1-2,5-6,14,16,19H,3-4,7-13H2
InChIKeyQOIFOCNXOPAGIH-UHFFFAOYSA-N
XLogP2.99
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine (CID 66402698) is N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine is c1ccc2c(c1)c(CNC1CC1)cn2CCN1CCCC1.
What is the InChIKey of N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine?
The InChIKey is QOIFOCNXOPAGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-6-18-17(5-1)15(13-19-16-7-8-16)14-21(18)12-11-20-9-3-4-10-20/h1-2,5-6,14,16,19H,3-4,7-13H2.
What are the key properties of N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine?
N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine has a molecular weight of 283.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66402698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).