N,N,2,2-tetramethyl-N'-(oxan-4-yl)propane-1,3-diamine

C12H26N2O — CID 43608358

IUPACN,N,2,2-tetramethyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1CCOCC1
InChIInChI=1S/C12H26N2O/c1-12(2,10-14(3)4)9-13-11-5-7-15-8-6-11/h11,13H,5-10H2,1-4H3
InChIKeyNCURRLCGGXRRDJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds5

About N,N,2,2-tetramethyl-N'-(oxan-4-yl)propane-1,3-diamine

N,N,2,2-tetramethyl-N'-(oxan-4-yl)propane-1,3-diamine (PubChem CID 43608358) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-(oxan-4-yl)propane-1,3-diamine
PubChem CID43608358
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN,N,2,2-tetramethyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1CCOCC1
InChIInChI=1S/C12H26N2O/c1-12(2,10-14(3)4)9-13-11-5-7-15-8-6-11/h11,13H,5-10H2,1-4H3
InChIKeyNCURRLCGGXRRDJ-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N,2,2-tetramethyl-N'-(oxan-4-yl)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,N,2,2-tetramethyl-N'-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-(oxan-4-yl)propane-1,3-diamine (CID 43608358) is N,N,2,2-tetramethyl-N'-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-(oxan-4-yl)propane-1,3-diamine is CN(C)CC(C)(C)CNC1CCOCC1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is NCURRLCGGXRRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,10-14(3)4)9-13-11-5-7-15-8-6-11/h11,13H,5-10H2,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-N'-(oxan-4-yl)propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 43608358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).