N-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxy-2-(oxiran-2-ylmethoxy)propan-2-amine

C12H23NO4 — CID 134255520

IUPACN-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxy-2-(oxiran-2-ylmethoxy)propan-2-amine
SMILESCC(C)(CC1CO1)ONC(C)(C)OCC1CO1
InChIInChI=1S/C12H23NO4/c1-11(2,5-9-6-14-9)17-13-12(3,4)16-8-10-7-15-10/h9-10,13H,5-8H2,1-4H3
InChIKeyXTGBKPYECAAPLN-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.23
Rot. Bonds8

About N-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxy-2-(oxiran-2-ylmethoxy)propan-2-amine

N-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxy-2-(oxiran-2-ylmethoxy)propan-2-amine (PubChem CID 134255520) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxy-2-(oxiran-2-ylmethoxy)propan-2-amine.

Molecular Properties

Compound NameN-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxy-2-(oxiran-2-ylmethoxy)propan-2-amine
PubChem CID134255520
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC NameN-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxy-2-(oxiran-2-ylmethoxy)propan-2-amine
SMILESCC(C)(CC1CO1)ONC(C)(C)OCC1CO1
InChIInChI=1S/C12H23NO4/c1-11(2,5-9-6-14-9)17-13-12(3,4)16-8-10-7-15-10/h9-10,13H,5-8H2,1-4H3
InChIKeyXTGBKPYECAAPLN-UHFFFAOYSA-N
XLogP1.23
TPSA55.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
CID 89152762
(2S)-2-[2-methyl-2-[2-methyl-1-[(2S)-oxiran-2-yl]propan-2-yl]oxypropyl]oxirane
CID 87603297
2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane
CID 23618197
2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane
CID 123361559
2-(2-methoxy-2-methylpropyl)oxirane
CID 18626422
1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine
CID 56622855
(2R)-2-(2,2-dimethylpropyl)oxirane
CID 15053925
2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane
CID 123358235
2-(2,4,4,7,7,9,9-heptamethylundecan-2-yloxymethyl)oxirane
CID 123908896
2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene
CID 155574162
2-(1,1-dimethoxypropoxymethyl)oxirane
CID 174508703
(2S)-2-[3-methyl-3-[2-methyl-4-[(2S)-oxiran-2-yl]butan-2-yl]oxybutyl]oxirane
CID 174395501

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxy-2-(oxiran-2-ylmethoxy)propan-2-amine?
The IUPAC name of N-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxy-2-(oxiran-2-ylmethoxy)propan-2-amine (CID 134255520) is N-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxy-2-(oxiran-2-ylmethoxy)propan-2-amine.
What is the SMILES notation for N-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxy-2-(oxiran-2-ylmethoxy)propan-2-amine?
The canonical SMILES for N-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxy-2-(oxiran-2-ylmethoxy)propan-2-amine is CC(C)(CC1CO1)ONC(C)(C)OCC1CO1.
What is the InChIKey of N-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxy-2-(oxiran-2-ylmethoxy)propan-2-amine?
The InChIKey is XTGBKPYECAAPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-11(2,5-9-6-14-9)17-13-12(3,4)16-8-10-7-15-10/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxy-2-(oxiran-2-ylmethoxy)propan-2-amine?
N-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxy-2-(oxiran-2-ylmethoxy)propan-2-amine has a molecular weight of 245.32 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxy-2-(oxiran-2-ylmethoxy)propan-2-amine is sourced from PubChem (CID 134255520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).