bis(1,4-dioxane);N-propan-2-ylpropan-2-amine

C14H31NO4 — CID 158831625

IUPACbis(1,4-dioxane);N-propan-2-ylpropan-2-amine
SMILESC1COCCO1.C1COCCO1.CC(C)NC(C)C
InChIInChI=1S/C6H15N.2C4H8O2/c1-5(2)7-6(3)4;2*1-2-6-4-3-5-1/h5-7H,1-4H3;2*1-4H2
InChIKeyIXCQAUKAMQWVST-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.46
Rot. Bonds2

About bis(1,4-dioxane);N-propan-2-ylpropan-2-amine

bis(1,4-dioxane);N-propan-2-ylpropan-2-amine (PubChem CID 158831625) has the molecular formula C14H31NO4 and a molecular weight of 277.40 g/mol. Its IUPAC name is bis(1,4-dioxane);N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Namebis(1,4-dioxane);N-propan-2-ylpropan-2-amine
PubChem CID158831625
Molecular FormulaC14H31NO4
Molecular Weight277.40 g/mol
Exact Mass277.23
IUPAC Namebis(1,4-dioxane);N-propan-2-ylpropan-2-amine
SMILESC1COCCO1.C1COCCO1.CC(C)NC(C)C
InChIInChI=1S/C6H15N.2C4H8O2/c1-5(2)7-6(3)4;2*1-2-6-4-3-5-1/h5-7H,1-4H3;2*1-4H2
InChIKeyIXCQAUKAMQWVST-UHFFFAOYSA-N
XLogP1.46
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 87569665
CID 87569665
2-methylpropane;oxolane
CID 70603205
3-morpholin-4-yl-N-propan-2-ylbutan-2-amine
CID 115905686
acetylene;N-propan-2-ylpropan-2-amine
CID 88622285
2-methylpropane;oxane
CID 91454058
2-chloropropane;oxolane
CID 159770837
1,4-dioxane;propan-2-ol;hydrate
CID 70303390
cyclobutane;1,4-dioxane
CID 160886837
1,4-dioxane
CID 161483686
methane;2-methylpropane;oxetane
CID 160642963
oxirane;propan-2-amine
CID 163631422
CID 174625889
CID 174625889

Frequently Asked Questions

What is the IUPAC name of bis(1,4-dioxane);N-propan-2-ylpropan-2-amine?
The IUPAC name of bis(1,4-dioxane);N-propan-2-ylpropan-2-amine (CID 158831625) is bis(1,4-dioxane);N-propan-2-ylpropan-2-amine.
What is the SMILES notation for bis(1,4-dioxane);N-propan-2-ylpropan-2-amine?
The canonical SMILES for bis(1,4-dioxane);N-propan-2-ylpropan-2-amine is C1COCCO1.C1COCCO1.CC(C)NC(C)C.
What is the InChIKey of bis(1,4-dioxane);N-propan-2-ylpropan-2-amine?
The InChIKey is IXCQAUKAMQWVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.2C4H8O2/c1-5(2)7-6(3)4;2*1-2-6-4-3-5-1/h5-7H,1-4H3;2*1-4H2.
What are the key properties of bis(1,4-dioxane);N-propan-2-ylpropan-2-amine?
bis(1,4-dioxane);N-propan-2-ylpropan-2-amine has a molecular weight of 277.40 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-dioxane);N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 158831625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).