N,N'-bis(1-ethoxybutan-2-yl)ethane-1,2-diamine

C14H32N2O2 — CID 16727455

IUPACN,N'-bis(1-ethoxybutan-2-yl)ethane-1,2-diamine
SMILESCCOCC(CC)NCCNC(CC)COCC
InChIInChI=1S/C14H32N2O2/c1-5-13(11-17-7-3)15-9-10-16-14(6-2)12-18-8-4/h13-16H,5-12H2,1-4H3
InChIKeyNCDAUZXHZNQVQC-UHFFFAOYSA-N
MW260.42 g/mol
LogP1.80
Rot. Bonds13

About N,N'-bis(1-ethoxybutan-2-yl)ethane-1,2-diamine

N,N'-bis(1-ethoxybutan-2-yl)ethane-1,2-diamine (PubChem CID 16727455) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N,N'-bis(1-ethoxybutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(1-ethoxybutan-2-yl)ethane-1,2-diamine
PubChem CID16727455
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC NameN,N'-bis(1-ethoxybutan-2-yl)ethane-1,2-diamine
SMILESCCOCC(CC)NCCNC(CC)COCC
InChIInChI=1S/C14H32N2O2/c1-5-13(11-17-7-3)15-9-10-16-14(6-2)12-18-8-4/h13-16H,5-12H2,1-4H3
InChIKeyNCDAUZXHZNQVQC-UHFFFAOYSA-N
XLogP1.80
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis(1-ethoxybutan-2-yl)ethane-1,2-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,N'-bis(1-ethoxybutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(1-ethoxybutan-2-yl)ethane-1,2-diamine (CID 16727455) is N,N'-bis(1-ethoxybutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(1-ethoxybutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(1-ethoxybutan-2-yl)ethane-1,2-diamine is CCOCC(CC)NCCNC(CC)COCC.
What is the InChIKey of N,N'-bis(1-ethoxybutan-2-yl)ethane-1,2-diamine?
The InChIKey is NCDAUZXHZNQVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2/c1-5-13(11-17-7-3)15-9-10-16-14(6-2)12-18-8-4/h13-16H,5-12H2,1-4H3.
What are the key properties of N,N'-bis(1-ethoxybutan-2-yl)ethane-1,2-diamine?
N,N'-bis(1-ethoxybutan-2-yl)ethane-1,2-diamine has a molecular weight of 260.42 g/mol, XLogP of 1.80, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-ethoxybutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 16727455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).