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

C13H28N2O — CID 62256952

IUPACN,N',2,2-tetramethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESCNCC(C)(C)CN(C)CC1CCCCO1
InChIInChI=1S/C13H28N2O/c1-13(2,10-14-3)11-15(4)9-12-7-5-6-8-16-12/h12,14H,5-11H2,1-4H3
InChIKeyGSOQDIGTPNVKQA-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds6

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

N,N',2,2-tetramethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine (PubChem CID 62256952) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N,N',2,2-tetramethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N',2,2-tetramethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
PubChem CID62256952
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN,N',2,2-tetramethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESCNCC(C)(C)CN(C)CC1CCCCO1
InChIInChI=1S/C13H28N2O/c1-13(2,10-14-3)11-15(4)9-12-7-5-6-8-16-12/h12,14H,5-11H2,1-4H3
InChIKeyGSOQDIGTPNVKQA-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N',2,2-tetramethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N',2,2-tetramethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine (CID 62256952) is N,N',2,2-tetramethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N',2,2-tetramethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N',2,2-tetramethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine is CNCC(C)(C)CN(C)CC1CCCCO1.
What is the InChIKey of N,N',2,2-tetramethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is GSOQDIGTPNVKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,10-14-3)11-15(4)9-12-7-5-6-8-16-12/h12,14H,5-11H2,1-4H3.
What are the key properties of N,N',2,2-tetramethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
N,N',2,2-tetramethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 6 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-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62256952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).