4-[(3-amino-3-methylbutoxy)methoxy]-2-methylbutan-2-amine

C11H26N2O2 — CID 122680171

IUPAC4-[(3-amino-3-methylbutoxy)methoxy]-2-methylbutan-2-amine
SMILESCC(C)(N)CCOCOCCC(C)(C)N
InChIInChI=1S/C11H26N2O2/c1-10(2,12)5-7-14-9-15-8-6-11(3,4)13/h5-9,12-13H2,1-4H3
InChIKeyXMESICWUTGSDIN-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.23
Rot. Bonds8

About 4-[(3-amino-3-methylbutoxy)methoxy]-2-methylbutan-2-amine

4-[(3-amino-3-methylbutoxy)methoxy]-2-methylbutan-2-amine (PubChem CID 122680171) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[(3-amino-3-methylbutoxy)methoxy]-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-[(3-amino-3-methylbutoxy)methoxy]-2-methylbutan-2-amine
PubChem CID122680171
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name4-[(3-amino-3-methylbutoxy)methoxy]-2-methylbutan-2-amine
SMILESCC(C)(N)CCOCOCCC(C)(C)N
InChIInChI=1S/C11H26N2O2/c1-10(2,12)5-7-14-9-15-8-6-11(3,4)13/h5-9,12-13H2,1-4H3
InChIKeyXMESICWUTGSDIN-UHFFFAOYSA-N
XLogP1.23
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-sulfanyloxybutan-2-amine
CID 137458968
1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine
CID 64537370
2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-amine
CID 89277490
1,5-diethoxy-3-methylpentan-3-amine
CID 91552736
1-(3-methoxy-3-methylbutoxy)-2-methylpropan-2-amine
CID 103034474
6-methoxy-2-methylhexan-2-amine
CID 94975413
1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine
CID 170722890
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
3-amino-3-methylbutan-1-ol
CID 641000
4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine
CID 142600828
1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol
CID 134861887
1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine
CID 64681637

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-methylbutoxy)methoxy]-2-methylbutan-2-amine?
The IUPAC name of 4-[(3-amino-3-methylbutoxy)methoxy]-2-methylbutan-2-amine (CID 122680171) is 4-[(3-amino-3-methylbutoxy)methoxy]-2-methylbutan-2-amine.
What is the SMILES notation for 4-[(3-amino-3-methylbutoxy)methoxy]-2-methylbutan-2-amine?
The canonical SMILES for 4-[(3-amino-3-methylbutoxy)methoxy]-2-methylbutan-2-amine is CC(C)(N)CCOCOCCC(C)(C)N.
What is the InChIKey of 4-[(3-amino-3-methylbutoxy)methoxy]-2-methylbutan-2-amine?
The InChIKey is XMESICWUTGSDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-10(2,12)5-7-14-9-15-8-6-11(3,4)13/h5-9,12-13H2,1-4H3.
What are the key properties of 4-[(3-amino-3-methylbutoxy)methoxy]-2-methylbutan-2-amine?
4-[(3-amino-3-methylbutoxy)methoxy]-2-methylbutan-2-amine has a molecular weight of 218.34 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-methylbutoxy)methoxy]-2-methylbutan-2-amine is sourced from PubChem (CID 122680171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).