1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine

C12H28N2O — CID 81067503

IUPAC1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
SMILESCCNCC(CC)N(C)CCOC(C)C
InChIInChI=1S/C12H28N2O/c1-6-12(10-13-7-2)14(5)8-9-15-11(3)4/h11-13H,6-10H2,1-5H3
InChIKeyCIOKTRKBWBJADP-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds9

About 1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine

1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine (PubChem CID 81067503) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
PubChem CID81067503
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
SMILESCCNCC(CC)N(C)CCOC(C)C
InChIInChI=1S/C12H28N2O/c1-6-12(10-13-7-2)14(5)8-9-15-11(3)4/h11-13H,6-10H2,1-5H3
InChIKeyCIOKTRKBWBJADP-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81067526
1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine
CID 62433170
1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine
CID 62432362
2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81068114
2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 81059317
3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine
CID 81056050
N-ethyl-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138726958
1-N-ethyl-3-methoxy-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 103225357
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 63008673
N-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
CID 83139596
N'-methyl-N'-propan-2-yl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 62641029
2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 81056584

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine (CID 81067503) is 1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine is CCNCC(CC)N(C)CCOC(C)C.
What is the InChIKey of 1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine?
The InChIKey is CIOKTRKBWBJADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-12(10-13-7-2)14(5)8-9-15-11(3)4/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine?
1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine is sourced from PubChem (CID 81067503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).