2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine

C12H26N2O — CID 82735147

IUPAC2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine
SMILESCCC(CC)(CN)N(C)C1CCOC1C
InChIInChI=1S/C12H26N2O/c1-5-12(6-2,9-13)14(4)11-7-8-15-10(11)3/h10-11H,5-9,13H2,1-4H3
InChIKeyXTMQXNLGDXJIBT-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds5

About 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine

2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine (PubChem CID 82735147) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine
PubChem CID82735147
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine
SMILESCCC(CC)(CN)N(C)C1CCOC1C
InChIInChI=1S/C12H26N2O/c1-5-12(6-2,9-13)14(4)11-7-8-15-10(11)3/h10-11H,5-9,13H2,1-4H3
InChIKeyXTMQXNLGDXJIBT-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine
CID 82734453
2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82734224
N',2,2-trimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718331
2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine
CID 82734351
2,2-difluoro-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 165467125
N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718003
N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine
CID 103563096
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine
CID 82740458
2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine
CID 54948148
2-N-methyl-2-N-(2-methyloxolan-3-yl)pentane-2,3-diamine
CID 82734283
3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82749509
N-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine
CID 82735395

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine (CID 82735147) is 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine is CCC(CC)(CN)N(C)C1CCOC1C.
What is the InChIKey of 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine?
The InChIKey is XTMQXNLGDXJIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-12(6-2,9-13)14(4)11-7-8-15-10(11)3/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine?
2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine is sourced from PubChem (CID 82735147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).