2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine

C13H28N2O2 — CID 19088341

IUPAC2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine
SMILESCC(CN)(CN)CCCCOC1CCCCO1
InChIInChI=1S/C13H28N2O2/c1-13(10-14,11-15)7-3-5-9-17-12-6-2-4-8-16-12/h12H,2-11,14-15H2,1H3
InChIKeyNWKHWBCLYWYMLA-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.62
Rot. Bonds8

About 2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine

2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine (PubChem CID 19088341) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine
PubChem CID19088341
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine
SMILESCC(CN)(CN)CCCCOC1CCCCO1
InChIInChI=1S/C13H28N2O2/c1-13(10-14,11-15)7-3-5-9-17-12-6-2-4-8-16-12/h12H,2-11,14-15H2,1H3
InChIKeyNWKHWBCLYWYMLA-UHFFFAOYSA-N
XLogP1.62
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-(oxan-2-yloxy)hexan-2-ol
CID 10727469
2-(4,4-dimethylpentoxy)oxane
CID 59628221
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-octacosoxyoxane
CID 11214102
2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane
CID 160655550
5,5-dimethyl-6-(oxan-2-yloxy)hexan-1-amine
CID 11586665
5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine
CID 129364883
N',2,2-trimethyl-N'-[2-(oxan-2-yloxy)ethyl]propane-1,3-diamine
CID 79652545
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine?
The IUPAC name of 2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine (CID 19088341) is 2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine.
What is the SMILES notation for 2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine?
The canonical SMILES for 2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine is CC(CN)(CN)CCCCOC1CCCCO1.
What is the InChIKey of 2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine?
The InChIKey is NWKHWBCLYWYMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-13(10-14,11-15)7-3-5-9-17-12-6-2-4-8-16-12/h12H,2-11,14-15H2,1H3.
What are the key properties of 2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine?
2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine has a molecular weight of 244.38 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine is sourced from PubChem (CID 19088341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).