2-N-methyl-2-N-(oxan-4-yl)-1-N-pentan-3-ylpropane-1,2-diamine

C14H30N2O — CID 55087504

IUPAC2-N-methyl-2-N-(oxan-4-yl)-1-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)NCC(C)N(C)C1CCOCC1
InChIInChI=1S/C14H30N2O/c1-5-13(6-2)15-11-12(3)16(4)14-7-9-17-10-8-14/h12-15H,5-11H2,1-4H3
InChIKeyXTEBQXSEZKATFK-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.26
Rot. Bonds7

About 2-N-methyl-2-N-(oxan-4-yl)-1-N-pentan-3-ylpropane-1,2-diamine

2-N-methyl-2-N-(oxan-4-yl)-1-N-pentan-3-ylpropane-1,2-diamine (PubChem CID 55087504) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-N-methyl-2-N-(oxan-4-yl)-1-N-pentan-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(oxan-4-yl)-1-N-pentan-3-ylpropane-1,2-diamine
PubChem CID55087504
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-N-methyl-2-N-(oxan-4-yl)-1-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)NCC(C)N(C)C1CCOCC1
InChIInChI=1S/C14H30N2O/c1-5-13(6-2)15-11-12(3)16(4)14-7-9-17-10-8-14/h12-15H,5-11H2,1-4H3
InChIKeyXTEBQXSEZKATFK-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-methyl-2-N-(oxan-4-yl)-1-N-pentan-3-ylpropane-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 2-N-methyl-2-N-(oxan-4-yl)-1-N-pentan-3-ylpropane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(oxan-4-yl)-1-N-pentan-3-ylpropane-1,2-diamine (CID 55087504) is 2-N-methyl-2-N-(oxan-4-yl)-1-N-pentan-3-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(oxan-4-yl)-1-N-pentan-3-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(oxan-4-yl)-1-N-pentan-3-ylpropane-1,2-diamine is CCC(CC)NCC(C)N(C)C1CCOCC1.
What is the InChIKey of 2-N-methyl-2-N-(oxan-4-yl)-1-N-pentan-3-ylpropane-1,2-diamine?
The InChIKey is XTEBQXSEZKATFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-13(6-2)15-11-12(3)16(4)14-7-9-17-10-8-14/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-N-methyl-2-N-(oxan-4-yl)-1-N-pentan-3-ylpropane-1,2-diamine?
2-N-methyl-2-N-(oxan-4-yl)-1-N-pentan-3-ylpropane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(oxan-4-yl)-1-N-pentan-3-ylpropane-1,2-diamine is sourced from PubChem (CID 55087504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).