3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine

C11H25NO2 — CID 106668062

IUPAC3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
SMILESCOC(C)(C)CCOCC(C)(C)CN
InChIInChI=1S/C11H25NO2/c1-10(2,8-12)9-14-7-6-11(3,4)13-5/h6-9,12H2,1-5H3
InChIKeyGURXGKHMWPVCPC-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.80
Rot. Bonds7

About 3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine

3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine (PubChem CID 106668062) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
PubChem CID106668062
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
SMILESCOC(C)(C)CCOCC(C)(C)CN
InChIInChI=1S/C11H25NO2/c1-10(2,8-12)9-14-7-6-11(3,4)13-5/h6-9,12H2,1-5H3
InChIKeyGURXGKHMWPVCPC-UHFFFAOYSA-N
XLogP1.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxy-3-methylbutoxy)-2-methylpropan-2-amine
CID 103034474
3-(3-methoxy-3-methylbutoxy)propan-1-amine
CID 103034470
N-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106667762
N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106667698
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropan-1-amine
CID 103406340
[4-(3-methoxy-3-methylbutoxy)-3,3-dimethylbutyl] methanesulfonate
CID 123615001
N'-[(3-methoxy-3-methylbutoxy)methyl]methanediamine
CID 144530109
2-(3-methoxy-3-methylbutoxy)ethanethioamide
CID 106665735
4-methoxy-2,2,4-trimethylpentan-1-amine
CID 131229444
3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine
CID 88929360
2,2-dimethyl-4-propoxybutan-1-amine
CID 65248577
2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid
CID 106664715

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine (CID 106668062) is 3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine is COC(C)(C)CCOCC(C)(C)CN.
What is the InChIKey of 3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine?
The InChIKey is GURXGKHMWPVCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-10(2,8-12)9-14-7-6-11(3,4)13-5/h6-9,12H2,1-5H3.
What are the key properties of 3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine?
3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 106668062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).