[1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]pyrrolidin-3-yl]methanol

C15H23N3O — CID 112624253

IUPAC[1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]pyrrolidin-3-yl]methanol
SMILESNCc1cc2c(nc1N1CCC(CO)C1)CCCC2
InChIInChI=1S/C15H23N3O/c16-8-13-7-12-3-1-2-4-14(12)17-15(13)18-6-5-11(9-18)10-19/h7,11,19H,1-6,8-10,16H2
InChIKeyDOUJQKFBTXXAPP-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.24
Rot. Bonds3

About [1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]pyrrolidin-3-yl]methanol

[1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]pyrrolidin-3-yl]methanol (PubChem CID 112624253) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]pyrrolidin-3-yl]methanol
PubChem CID112624253
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]pyrrolidin-3-yl]methanol
SMILESNCc1cc2c(nc1N1CCC(CO)C1)CCCC2
InChIInChI=1S/C15H23N3O/c16-8-13-7-12-3-1-2-4-14(12)17-15(13)18-6-5-11(9-18)10-19/h7,11,19H,1-6,8-10,16H2
InChIKeyDOUJQKFBTXXAPP-UHFFFAOYSA-N
XLogP1.24
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]pyrrolidin-3-yl]methanol (CID 112624253) is [1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]pyrrolidin-3-yl]methanol is NCc1cc2c(nc1N1CCC(CO)C1)CCCC2.
What is the InChIKey of [1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]pyrrolidin-3-yl]methanol?
The InChIKey is DOUJQKFBTXXAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-8-13-7-12-3-1-2-4-14(12)17-15(13)18-6-5-11(9-18)10-19/h7,11,19H,1-6,8-10,16H2.
What are the key properties of [1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]pyrrolidin-3-yl]methanol?
[1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]pyrrolidin-3-yl]methanol has a molecular weight of 261.37 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112624253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).