2-[2-(aminomethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C15H20N4O — CID 114399435

IUPAC2-[2-(aminomethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCOC(CN)C1)CCCC2
InChIInChI=1S/C15H20N4O/c16-8-12-7-11-3-1-2-4-14(11)18-15(12)19-5-6-20-13(9-17)10-19/h7,13H,1-6,9-10,17H2
InChIKeyPXWKRRGIAJDDAY-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.00
Rot. Bonds2

About 2-[2-(aminomethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[2-(aminomethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 114399435) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-(aminomethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(aminomethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID114399435
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[2-(aminomethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCOC(CN)C1)CCCC2
InChIInChI=1S/C15H20N4O/c16-8-12-7-11-3-1-2-4-14(11)18-15(12)19-5-6-20-13(9-17)10-19/h7,13H,1-6,9-10,17H2
InChIKeyPXWKRRGIAJDDAY-UHFFFAOYSA-N
XLogP1.00
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 114399435) is 2-[2-(aminomethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[2-(aminomethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[2-(aminomethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cc2c(nc1N1CCOC(CN)C1)CCCC2.
What is the InChIKey of 2-[2-(aminomethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is PXWKRRGIAJDDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-8-12-7-11-3-1-2-4-14(11)18-15(12)19-5-6-20-13(9-17)10-19/h7,13H,1-6,9-10,17H2.
What are the key properties of 2-[2-(aminomethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[2-(aminomethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 272.35 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 114399435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).