1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine

C12H26N2O — CID 79409675

IUPAC1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine
SMILESCNCC(C)C(C)N(C)C1CCOCC1
InChIInChI=1S/C12H26N2O/c1-10(9-13-3)11(2)14(4)12-5-7-15-8-6-12/h10-13H,5-9H2,1-4H3
InChIKeyILMHERRWASZPIK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds5

About 1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine

1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine (PubChem CID 79409675) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine
PubChem CID79409675
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine
SMILESCNCC(C)C(C)N(C)C1CCOCC1
InChIInChI=1S/C12H26N2O/c1-10(9-13-3)11(2)14(4)12-5-7-15-8-6-12/h10-13H,5-9H2,1-4H3
InChIKeyILMHERRWASZPIK-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine?
The IUPAC name of 1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine (CID 79409675) is 1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine is CNCC(C)C(C)N(C)C1CCOCC1.
What is the InChIKey of 1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine?
The InChIKey is ILMHERRWASZPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(9-13-3)11(2)14(4)12-5-7-15-8-6-12/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine?
1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine is sourced from PubChem (CID 79409675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).