N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]propane-1,3-diamine

C13H32N4 — CID 4282

IUPACN-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]propane-1,3-diamine
SMILESCCNCCCNCCCNCCCNCC
InChIInChI=1S/C13H32N4/c1-3-14-8-5-10-16-12-7-13-17-11-6-9-15-4-2/h14-17H,3-13H2,1-2H3
InChIKeyUMJJGDUYVQCBMC-UHFFFAOYSA-N
MW244.43 g/mol
LogP0.55
Rot. Bonds14

About N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]propane-1,3-diamine

N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]propane-1,3-diamine (PubChem CID 4282) has the molecular formula C13H32N4 and a molecular weight of 244.43 g/mol. Its IUPAC name is N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]propane-1,3-diamine
PubChem CID4282
Molecular FormulaC13H32N4
Molecular Weight244.43 g/mol
Exact Mass244.26
IUPAC NameN-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]propane-1,3-diamine
SMILESCCNCCCNCCCNCCCNCC
InChIInChI=1S/C13H32N4/c1-3-14-8-5-10-16-12-7-13-17-11-6-9-15-4-2/h14-17H,3-13H2,1-2H3
InChIKeyUMJJGDUYVQCBMC-UHFFFAOYSA-N
XLogP0.55
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]propane-1,3-diamine (CID 4282) is N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]propane-1,3-diamine is CCNCCCNCCCNCCCNCC.
What is the InChIKey of N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]propane-1,3-diamine?
The InChIKey is UMJJGDUYVQCBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32N4/c1-3-14-8-5-10-16-12-7-13-17-11-6-9-15-4-2/h14-17H,3-13H2,1-2H3.
What are the key properties of N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]propane-1,3-diamine?
N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]propane-1,3-diamine has a molecular weight of 244.43 g/mol, XLogP of 0.55, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]propane-1,3-diamine is sourced from PubChem (CID 4282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).