N,N,2,2-tetramethyl-N'-[(2R,3R)-2-methyloxolan-3-yl]propane-1,3-diamine

C12H26N2O — CID 97358040

IUPACN,N,2,2-tetramethyl-N'-[(2R,3R)-2-methyloxolan-3-yl]propane-1,3-diamine
SMILESC[C@H]1OCC[C@H]1NCC(C)(C)CN(C)C
InChIInChI=1S/C12H26N2O/c1-10-11(6-7-15-10)13-8-12(2,3)9-14(4)5/h10-11,13H,6-9H2,1-5H3/t10-,11-/m1/s1
InChIKeyQXZOUSARSUBJQP-GHMZBOCLSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds5

About N,N,2,2-tetramethyl-N'-[(2R,3R)-2-methyloxolan-3-yl]propane-1,3-diamine

N,N,2,2-tetramethyl-N'-[(2R,3R)-2-methyloxolan-3-yl]propane-1,3-diamine (PubChem CID 97358040) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-[(2R,3R)-2-methyloxolan-3-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-[(2R,3R)-2-methyloxolan-3-yl]propane-1,3-diamine
PubChem CID97358040
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN,N,2,2-tetramethyl-N'-[(2R,3R)-2-methyloxolan-3-yl]propane-1,3-diamine
SMILESC[C@H]1OCC[C@H]1NCC(C)(C)CN(C)C
InChIInChI=1S/C12H26N2O/c1-10-11(6-7-15-10)13-8-12(2,3)9-14(4)5/h10-11,13H,6-9H2,1-5H3/t10-,11-/m1/s1
InChIKeyQXZOUSARSUBJQP-GHMZBOCLSA-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

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-[(2R,3R)-2-methyloxolan-3-yl]propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-[(2R,3R)-2-methyloxolan-3-yl]propane-1,3-diamine (CID 97358040) is N,N,2,2-tetramethyl-N'-[(2R,3R)-2-methyloxolan-3-yl]propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-[(2R,3R)-2-methyloxolan-3-yl]propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-[(2R,3R)-2-methyloxolan-3-yl]propane-1,3-diamine is C[C@H]1OCC[C@H]1NCC(C)(C)CN(C)C.
What is the InChIKey of N,N,2,2-tetramethyl-N'-[(2R,3R)-2-methyloxolan-3-yl]propane-1,3-diamine?
The InChIKey is QXZOUSARSUBJQP-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10-11(6-7-15-10)13-8-12(2,3)9-14(4)5/h10-11,13H,6-9H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of N,N,2,2-tetramethyl-N'-[(2R,3R)-2-methyloxolan-3-yl]propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-[(2R,3R)-2-methyloxolan-3-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'-[(2R,3R)-2-methyloxolan-3-yl]propane-1,3-diamine is sourced from PubChem (CID 97358040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).