N-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine

C13H28N2O — CID 63983102

IUPACN-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CN)C1CCCOC1
InChIInChI=1S/C13H28N2O/c1-5-13(2,3)15(4)12(9-14)11-7-6-8-16-10-11/h11-12H,5-10,14H2,1-4H3
InChIKeyAEKNSASJUQUXMR-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds5

About N-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine

N-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine (PubChem CID 63983102) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine
PubChem CID63983102
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CN)C1CCCOC1
InChIInChI=1S/C13H28N2O/c1-5-13(2,3)15(4)12(9-14)11-7-6-8-16-10-11/h11-12H,5-10,14H2,1-4H3
InChIKeyAEKNSASJUQUXMR-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine (CID 63983102) is N-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine is CCC(C)(C)N(C)C(CN)C1CCCOC1.
What is the InChIKey of N-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine?
The InChIKey is AEKNSASJUQUXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-13(2,3)15(4)12(9-14)11-7-6-8-16-10-11/h11-12H,5-10,14H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine?
N-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 63983102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).