azane;N-ethyl-2-(3-phenylpropyl)-N-propylaniline

C20H30N2 — CID 23460330

IUPACazane;N-ethyl-2-(3-phenylpropyl)-N-propylaniline
SMILESCCCN(CC)c1ccccc1CCCc1ccccc1.N
InChIInChI=1S/C20H27N.H3N/c1-3-17-21(4-2)20-16-9-8-14-19(20)15-10-13-18-11-6-5-7-12-18;/h5-9,11-12,14,16H,3-4,10,13,15,17H2,1-2H3;1H3
InChIKeyVWAVDOJSNUBBPB-UHFFFAOYSA-N
MW298.47 g/mol
LogP5.26
Rot. Bonds8

About azane;N-ethyl-2-(3-phenylpropyl)-N-propylaniline

azane;N-ethyl-2-(3-phenylpropyl)-N-propylaniline (PubChem CID 23460330) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is azane;N-ethyl-2-(3-phenylpropyl)-N-propylaniline.

Molecular Properties

Compound Nameazane;N-ethyl-2-(3-phenylpropyl)-N-propylaniline
PubChem CID23460330
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Nameazane;N-ethyl-2-(3-phenylpropyl)-N-propylaniline
SMILESCCCN(CC)c1ccccc1CCCc1ccccc1.N
InChIInChI=1S/C20H27N.H3N/c1-3-17-21(4-2)20-16-9-8-14-19(20)15-10-13-18-11-6-5-7-12-18;/h5-9,11-12,14,16H,3-4,10,13,15,17H2,1-2H3;1H3
InChIKeyVWAVDOJSNUBBPB-UHFFFAOYSA-N
XLogP5.26
TPSA38.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;N-ethyl-2-(3-phenylpropyl)-N-propylaniline?
The IUPAC name of azane;N-ethyl-2-(3-phenylpropyl)-N-propylaniline (CID 23460330) is azane;N-ethyl-2-(3-phenylpropyl)-N-propylaniline.
What is the SMILES notation for azane;N-ethyl-2-(3-phenylpropyl)-N-propylaniline?
The canonical SMILES for azane;N-ethyl-2-(3-phenylpropyl)-N-propylaniline is CCCN(CC)c1ccccc1CCCc1ccccc1.N.
What is the InChIKey of azane;N-ethyl-2-(3-phenylpropyl)-N-propylaniline?
The InChIKey is VWAVDOJSNUBBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N.H3N/c1-3-17-21(4-2)20-16-9-8-14-19(20)15-10-13-18-11-6-5-7-12-18;/h5-9,11-12,14,16H,3-4,10,13,15,17H2,1-2H3;1H3.
What are the key properties of azane;N-ethyl-2-(3-phenylpropyl)-N-propylaniline?
azane;N-ethyl-2-(3-phenylpropyl)-N-propylaniline has a molecular weight of 298.47 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-ethyl-2-(3-phenylpropyl)-N-propylaniline is sourced from PubChem (CID 23460330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).