N,N'-bis(14-ethoxytetradecyl)propane-1,3-diamine

C35H74N2O2 — CID 3085451

IUPACN,N'-bis(14-ethoxytetradecyl)propane-1,3-diamine
SMILESCCOCCCCCCCCCCCCCCNCCCNCCCCCCCCCCCCCCOCC
InChIInChI=1S/C35H74N2O2/c1-3-38-34-27-23-19-15-11-7-5-9-13-17-21-25-30-36-32-29-33-37-31-26-22-18-14-10-6-8-12-16-20-24-28-35-39-4-2/h36-37H,3-35H2,1-2H3
InChIKeyPAIAZUJMLRGLCS-UHFFFAOYSA-N
MW554.99 g/mol
LogP9.99
Rot. Bonds36

About N,N'-bis(14-ethoxytetradecyl)propane-1,3-diamine

N,N'-bis(14-ethoxytetradecyl)propane-1,3-diamine (PubChem CID 3085451) has the molecular formula C35H74N2O2 and a molecular weight of 554.99 g/mol. Its IUPAC name is N,N'-bis(14-ethoxytetradecyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(14-ethoxytetradecyl)propane-1,3-diamine
PubChem CID3085451
Molecular FormulaC35H74N2O2
Molecular Weight554.99 g/mol
Exact Mass554.58
IUPAC NameN,N'-bis(14-ethoxytetradecyl)propane-1,3-diamine
SMILESCCOCCCCCCCCCCCCCCNCCCNCCCCCCCCCCCCCCOCC
InChIInChI=1S/C35H74N2O2/c1-3-38-34-27-23-19-15-11-7-5-9-13-17-21-25-30-36-32-29-33-37-31-26-22-18-14-10-6-8-12-16-20-24-28-35-39-4-2/h36-37H,3-35H2,1-2H3
InChIKeyPAIAZUJMLRGLCS-UHFFFAOYSA-N
XLogP9.99
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds36
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.99
LogP ≤ 59.99
H-Bond Donors ≤ 52
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,N'-bis(14-ethoxytetradecyl)propane-1,3-diamine?
The IUPAC name of N,N'-bis(14-ethoxytetradecyl)propane-1,3-diamine (CID 3085451) is N,N'-bis(14-ethoxytetradecyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-bis(14-ethoxytetradecyl)propane-1,3-diamine?
The canonical SMILES for N,N'-bis(14-ethoxytetradecyl)propane-1,3-diamine is CCOCCCCCCCCCCCCCCNCCCNCCCCCCCCCCCCCCOCC.
What is the InChIKey of N,N'-bis(14-ethoxytetradecyl)propane-1,3-diamine?
The InChIKey is PAIAZUJMLRGLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H74N2O2/c1-3-38-34-27-23-19-15-11-7-5-9-13-17-21-25-30-36-32-29-33-37-31-26-22-18-14-10-6-8-12-16-20-24-28-35-39-4-2/h36-37H,3-35H2,1-2H3.
What are the key properties of N,N'-bis(14-ethoxytetradecyl)propane-1,3-diamine?
N,N'-bis(14-ethoxytetradecyl)propane-1,3-diamine has a molecular weight of 554.99 g/mol, XLogP of 9.99, 36 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(14-ethoxytetradecyl)propane-1,3-diamine is sourced from PubChem (CID 3085451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).