1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine

C14H30N2O2 — CID 82954187

IUPAC1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine
SMILESCCOCCN(CCOCC)CCC(N)C1CC1
InChIInChI=1S/C14H30N2O2/c1-3-17-11-9-16(10-12-18-4-2)8-7-14(15)13-5-6-13/h13-14H,3-12,15H2,1-2H3
InChIKeyWGFQFVOGWQYEJL-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.49
Rot. Bonds12

About 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine

1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine (PubChem CID 82954187) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine
PubChem CID82954187
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine
SMILESCCOCCN(CCOCC)CCC(N)C1CC1
InChIInChI=1S/C14H30N2O2/c1-3-17-11-9-16(10-12-18-4-2)8-7-14(15)13-5-6-13/h13-14H,3-12,15H2,1-2H3
InChIKeyWGFQFVOGWQYEJL-UHFFFAOYSA-N
XLogP1.49
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)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 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine?
The IUPAC name of 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine (CID 82954187) is 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine.
What is the SMILES notation for 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine?
The canonical SMILES for 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine is CCOCCN(CCOCC)CCC(N)C1CC1.
What is the InChIKey of 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine?
The InChIKey is WGFQFVOGWQYEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-3-17-11-9-16(10-12-18-4-2)8-7-14(15)13-5-6-13/h13-14H,3-12,15H2,1-2H3.
What are the key properties of 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine?
1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine has a molecular weight of 258.41 g/mol, XLogP of 1.49, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 82954187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).