N-[1-[1-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine

C16H36N2O — CID 19822688

IUPACN-[1-[1-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)C(C)OC(C)N(CCC)CCC
InChIInChI=1S/C16H36N2O/c1-7-11-17(12-8-2)15(5)19-16(6)18(13-9-3)14-10-4/h15-16H,7-14H2,1-6H3
InChIKeyWOIUIJNVMLIRQR-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.94
Rot. Bonds12

About N-[1-[1-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine

N-[1-[1-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine (PubChem CID 19822688) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is N-[1-[1-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine
PubChem CID19822688
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC NameN-[1-[1-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)C(C)OC(C)N(CCC)CCC
InChIInChI=1S/C16H36N2O/c1-7-11-17(12-8-2)15(5)19-16(6)18(13-9-3)14-10-4/h15-16H,7-14H2,1-6H3
InChIKeyWOIUIJNVMLIRQR-UHFFFAOYSA-N
XLogP3.94
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[1-[1-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[1-[1-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine (CID 19822688) is N-[1-[1-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[1-[1-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[1-[1-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine is CCCN(CCC)C(C)OC(C)N(CCC)CCC.
What is the InChIKey of N-[1-[1-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine?
The InChIKey is WOIUIJNVMLIRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-7-11-17(12-8-2)15(5)19-16(6)18(13-9-3)14-10-4/h15-16H,7-14H2,1-6H3.
What are the key properties of N-[1-[1-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine?
N-[1-[1-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine has a molecular weight of 272.48 g/mol, XLogP of 3.94, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 19822688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).