N'-(oxan-3-yl)-N'-phenylpropane-1,3-diamine

C14H22N2O — CID 107134572

IUPACN'-(oxan-3-yl)-N'-phenylpropane-1,3-diamine
SMILESNCCCN(c1ccccc1)C1CCCOC1
InChIInChI=1S/C14H22N2O/c15-9-5-10-16(13-6-2-1-3-7-13)14-8-4-11-17-12-14/h1-3,6-7,14H,4-5,8-12,15H2
InChIKeyYCQMMDDANKVQGG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.02
Rot. Bonds5

About N'-(oxan-3-yl)-N'-phenylpropane-1,3-diamine

N'-(oxan-3-yl)-N'-phenylpropane-1,3-diamine (PubChem CID 107134572) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-(oxan-3-yl)-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(oxan-3-yl)-N'-phenylpropane-1,3-diamine
PubChem CID107134572
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-(oxan-3-yl)-N'-phenylpropane-1,3-diamine
SMILESNCCCN(c1ccccc1)C1CCCOC1
InChIInChI=1S/C14H22N2O/c15-9-5-10-16(13-6-2-1-3-7-13)14-8-4-11-17-12-14/h1-3,6-7,14H,4-5,8-12,15H2
InChIKeyYCQMMDDANKVQGG-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(oxan-3-yl)-N'-phenylpropane-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'-(oxan-3-yl)-N'-phenylpropane-1,3-diamine?
The IUPAC name of N'-(oxan-3-yl)-N'-phenylpropane-1,3-diamine (CID 107134572) is N'-(oxan-3-yl)-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(oxan-3-yl)-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(oxan-3-yl)-N'-phenylpropane-1,3-diamine is NCCCN(c1ccccc1)C1CCCOC1.
What is the InChIKey of N'-(oxan-3-yl)-N'-phenylpropane-1,3-diamine?
The InChIKey is YCQMMDDANKVQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-9-5-10-16(13-6-2-1-3-7-13)14-8-4-11-17-12-14/h1-3,6-7,14H,4-5,8-12,15H2.
What are the key properties of N'-(oxan-3-yl)-N'-phenylpropane-1,3-diamine?
N'-(oxan-3-yl)-N'-phenylpropane-1,3-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxan-3-yl)-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 107134572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).