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

C11H24N2O — CID 116904749

IUPACN,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine
SMILESCC(CN)C(C1CCOCC1)N(C)C
InChIInChI=1S/C11H24N2O/c1-9(8-12)11(13(2)3)10-4-6-14-7-5-10/h9-11H,4-8,12H2,1-3H3
InChIKeyXSEXTGQZEYWACK-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.94
Rot. Bonds4

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

N,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine (PubChem CID 116904749) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine
PubChem CID116904749
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine
SMILESCC(CN)C(C1CCOCC1)N(C)C
InChIInChI=1S/C11H24N2O/c1-9(8-12)11(13(2)3)10-4-6-14-7-5-10/h9-11H,4-8,12H2,1-3H3
InChIKeyXSEXTGQZEYWACK-UHFFFAOYSA-N
XLogP0.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of N,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine (CID 116904749) is N,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for N,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine is CC(CN)C(C1CCOCC1)N(C)C.
What is the InChIKey of N,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is XSEXTGQZEYWACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(8-12)11(13(2)3)10-4-6-14-7-5-10/h9-11H,4-8,12H2,1-3H3.
What are the key properties of N,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine?
N,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 200.33 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 116904749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).