1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine

C17H28N2 — CID 66398378

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
SMILESCCCn1ccc(CNC(C)C2CC3CCC2C3)c1
InChIInChI=1S/C17H28N2/c1-3-7-19-8-6-15(12-19)11-18-13(2)17-10-14-4-5-16(17)9-14/h6,8,12-14,16-18H,3-5,7,9-11H2,1-2H3
InChIKeyBHLBJLJJMAEXTN-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.81
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine (PubChem CID 66398378) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
PubChem CID66398378
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
SMILESCCCn1ccc(CNC(C)C2CC3CCC2C3)c1
InChIInChI=1S/C17H28N2/c1-3-7-19-8-6-15(12-19)11-18-13(2)17-10-14-4-5-16(17)9-14/h6,8,12-14,16-18H,3-5,7,9-11H2,1-2H3
InChIKeyBHLBJLJJMAEXTN-UHFFFAOYSA-N
XLogP3.81
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine (CID 66398378) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine is CCCn1ccc(CNC(C)C2CC3CCC2C3)c1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is BHLBJLJJMAEXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-7-19-8-6-15(12-19)11-18-13(2)17-10-14-4-5-16(17)9-14/h6,8,12-14,16-18H,3-5,7,9-11H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 66398378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).