3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine

C12H26N2O — CID 79477724

IUPAC3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine
SMILESCCC(C)CN(CC)C1COCCC1N
InChIInChI=1S/C12H26N2O/c1-4-10(3)8-14(5-2)12-9-15-7-6-11(12)13/h10-12H,4-9,13H2,1-3H3
InChIKeyKCFVOMMLPPBABE-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds5

About 3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine

3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine (PubChem CID 79477724) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine
PubChem CID79477724
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine
SMILESCCC(C)CN(CC)C1COCCC1N
InChIInChI=1S/C12H26N2O/c1-4-10(3)8-14(5-2)12-9-15-7-6-11(12)13/h10-12H,4-9,13H2,1-3H3
InChIKeyKCFVOMMLPPBABE-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine
CID 61436867
3-[ethyl(2-methylbutyl)amino]oxan-4-ol
CID 115278519
2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine
CID 79477922
3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine
CID 107869710
3-N-butyl-3-N-ethyloxane-3,4-diamine
CID 43608807
3-N-ethyl-3-N-methyloxane-3,4-diamine
CID 43608817
N'-ethyl-2-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 63556391
3-N-ethyl-3-N-(2-methylbutyl)-1,1-dioxothiolane-3,4-diamine
CID 79476664
2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine
CID 79481944
3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine
CID 63694328
2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine
CID 43295671
2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine
CID 43273695

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine?
The IUPAC name of 3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine (CID 79477724) is 3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine is CCC(C)CN(CC)C1COCCC1N.
What is the InChIKey of 3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine?
The InChIKey is KCFVOMMLPPBABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-10(3)8-14(5-2)12-9-15-7-6-11(12)13/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine?
3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine is sourced from PubChem (CID 79477724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).