N'-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine

C11H24N2O — CID 43591812

IUPACN'-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESCCN(CCCN)CC1CCCCO1
InChIInChI=1S/C11H24N2O/c1-2-13(8-5-7-12)10-11-6-3-4-9-14-11/h11H,2-10,12H2,1H3
InChIKeyKPULSRGUQBFNIT-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.23
Rot. Bonds6

About N'-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine

N'-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine (PubChem CID 43591812) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N'-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
PubChem CID43591812
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN'-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESCCN(CCCN)CC1CCCCO1
InChIInChI=1S/C11H24N2O/c1-2-13(8-5-7-12)10-11-6-3-4-9-14-11/h11H,2-10,12H2,1H3
InChIKeyKPULSRGUQBFNIT-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-ethyl-N'-(oxan-2-ylmethyl)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 N'-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine (CID 43591812) is N'-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine is CCN(CCCN)CC1CCCCO1.
What is the InChIKey of N'-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is KPULSRGUQBFNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-2-13(8-5-7-12)10-11-6-3-4-9-14-11/h11H,2-10,12H2,1H3.
What are the key properties of N'-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
N'-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 43591812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).