N-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine

C17H30N2OS — CID 79664239

IUPACN-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)C1CN(CCC)CCO1
InChIInChI=1S/C17H30N2OS/c1-3-9-18-16(8-7-15-6-5-13-21-15)17-14-19(10-4-2)11-12-20-17/h5-6,13,16-18H,3-4,7-12,14H2,1-2H3
InChIKeyZCNNXOOGSJXESI-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.16
Rot. Bonds9

About N-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine

N-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 79664239) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine
PubChem CID79664239
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)C1CN(CCC)CCO1
InChIInChI=1S/C17H30N2OS/c1-3-9-18-16(8-7-15-6-5-13-21-15)17-14-19(10-4-2)11-12-20-17/h5-6,13,16-18H,3-4,7-12,14H2,1-2H3
InChIKeyZCNNXOOGSJXESI-UHFFFAOYSA-N
XLogP3.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine (CID 79664239) is N-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine is CCCNC(CCc1cccs1)C1CN(CCC)CCO1.
What is the InChIKey of N-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is ZCNNXOOGSJXESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-3-9-18-16(8-7-15-6-5-13-21-15)17-14-19(10-4-2)11-12-20-17/h5-6,13,16-18H,3-4,7-12,14H2,1-2H3.
What are the key properties of N-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine?
N-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 310.51 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 79664239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).