1-morpholin-4-yl-N-[3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propyl]propan-2-amine

C25H41N3O2 — CID 11560710

IUPAC1-morpholin-4-yl-N-[3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propyl]propan-2-amine
SMILESCC(CN1CCOCC1)NCCCOc1ccc2c(c1)CCC(CN1CCCC1)C2
InChIInChI=1S/C25H41N3O2/c1-21(19-28-12-15-29-16-13-28)26-9-4-14-30-25-8-7-23-17-22(5-6-24(23)18-25)20-27-10-2-3-11-27/h7-8,18,21-22,26H,2-6,9-17,19-20H2,1H3
InChIKeyNGRMFURGBYPLNC-UHFFFAOYSA-N
MW415.62 g/mol
LogP2.97
Rot. Bonds10

About 1-morpholin-4-yl-N-[3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propyl]propan-2-amine

1-morpholin-4-yl-N-[3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propyl]propan-2-amine (PubChem CID 11560710) has the molecular formula C25H41N3O2 and a molecular weight of 415.62 g/mol. Its IUPAC name is 1-morpholin-4-yl-N-[3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propyl]propan-2-amine.

Molecular Properties

Compound Name1-morpholin-4-yl-N-[3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propyl]propan-2-amine
PubChem CID11560710
Molecular FormulaC25H41N3O2
Molecular Weight415.62 g/mol
Exact Mass415.32
IUPAC Name1-morpholin-4-yl-N-[3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propyl]propan-2-amine
SMILESCC(CN1CCOCC1)NCCCOc1ccc2c(c1)CCC(CN1CCCC1)C2
InChIInChI=1S/C25H41N3O2/c1-21(19-28-12-15-29-16-13-28)26-9-4-14-30-25-8-7-23-17-22(5-6-24(23)18-25)20-27-10-2-3-11-27/h7-8,18,21-22,26H,2-6,9-17,19-20H2,1H3
InChIKeyNGRMFURGBYPLNC-UHFFFAOYSA-N
XLogP2.97
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.62
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-N-[3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propyl]propan-2-amine?
The IUPAC name of 1-morpholin-4-yl-N-[3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propyl]propan-2-amine (CID 11560710) is 1-morpholin-4-yl-N-[3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propyl]propan-2-amine.
What is the SMILES notation for 1-morpholin-4-yl-N-[3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propyl]propan-2-amine?
The canonical SMILES for 1-morpholin-4-yl-N-[3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propyl]propan-2-amine is CC(CN1CCOCC1)NCCCOc1ccc2c(c1)CCC(CN1CCCC1)C2.
What is the InChIKey of 1-morpholin-4-yl-N-[3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propyl]propan-2-amine?
The InChIKey is NGRMFURGBYPLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O2/c1-21(19-28-12-15-29-16-13-28)26-9-4-14-30-25-8-7-23-17-22(5-6-24(23)18-25)20-27-10-2-3-11-27/h7-8,18,21-22,26H,2-6,9-17,19-20H2,1H3.
What are the key properties of 1-morpholin-4-yl-N-[3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propyl]propan-2-amine?
1-morpholin-4-yl-N-[3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propyl]propan-2-amine has a molecular weight of 415.62 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-N-[3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propyl]propan-2-amine is sourced from PubChem (CID 11560710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).