6-[propyl(3-pyrrol-1-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

C20H28N2O — CID 19895755

IUPAC6-[propyl(3-pyrrol-1-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCCn1cccc1)C1CCc2c(O)cccc2C1
InChIInChI=1S/C20H28N2O/c1-2-11-22(15-6-14-21-12-3-4-13-21)18-9-10-19-17(16-18)7-5-8-20(19)23/h3-5,7-8,12-13,18,23H,2,6,9-11,14-16H2,1H3
InChIKeyLJZMCMOJACBEFC-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.85
Rot. Bonds7

About 6-[propyl(3-pyrrol-1-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

6-[propyl(3-pyrrol-1-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 19895755) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 6-[propyl(3-pyrrol-1-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-[propyl(3-pyrrol-1-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID19895755
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name6-[propyl(3-pyrrol-1-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCCn1cccc1)C1CCc2c(O)cccc2C1
InChIInChI=1S/C20H28N2O/c1-2-11-22(15-6-14-21-12-3-4-13-21)18-9-10-19-17(16-18)7-5-8-20(19)23/h3-5,7-8,12-13,18,23H,2,6,9-11,14-16H2,1H3
InChIKeyLJZMCMOJACBEFC-UHFFFAOYSA-N
XLogP3.85
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[propyl(3-pyrrol-1-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-[propyl(3-pyrrol-1-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 19895755) is 6-[propyl(3-pyrrol-1-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-[propyl(3-pyrrol-1-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-[propyl(3-pyrrol-1-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol is CCCN(CCCn1cccc1)C1CCc2c(O)cccc2C1.
What is the InChIKey of 6-[propyl(3-pyrrol-1-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is LJZMCMOJACBEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-2-11-22(15-6-14-21-12-3-4-13-21)18-9-10-19-17(16-18)7-5-8-20(19)23/h3-5,7-8,12-13,18,23H,2,6,9-11,14-16H2,1H3.
What are the key properties of 6-[propyl(3-pyrrol-1-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
6-[propyl(3-pyrrol-1-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 312.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[propyl(3-pyrrol-1-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 19895755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).