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

C11H27N3 — CID 5494411

IUPACN-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine
SMILESCCCNCCCNCCCNCC
InChIInChI=1S/C11H27N3/c1-3-7-13-9-6-11-14-10-5-8-12-4-2/h12-14H,3-11H2,1-2H3
InChIKeyZFYULDAPZWEGGQ-UHFFFAOYSA-N
MW201.36 g/mol
LogP0.97
Rot. Bonds11

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

N-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine (PubChem CID 5494411) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine
PubChem CID5494411
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine
SMILESCCCNCCCNCCCNCC
InChIInChI=1S/C11H27N3/c1-3-7-13-9-6-11-14-10-5-8-12-4-2/h12-14H,3-11H2,1-2H3
InChIKeyZFYULDAPZWEGGQ-UHFFFAOYSA-N
XLogP0.97
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine 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-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine (CID 5494411) is N-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine is CCCNCCCNCCCNCC.
What is the InChIKey of N-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine?
The InChIKey is ZFYULDAPZWEGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-3-7-13-9-6-11-14-10-5-8-12-4-2/h12-14H,3-11H2,1-2H3.
What are the key properties of N-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine?
N-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine has a molecular weight of 201.36 g/mol, XLogP of 0.97, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 5494411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).