1,1,1-trimethoxy-2-methylpropan-2-amine

C7H17NO3 — CID 178171050

IUPAC1,1,1-trimethoxy-2-methylpropan-2-amine
SMILESCOC(OC)(OC)C(C)(C)N
InChIInChI=1S/C7H17NO3/c1-6(2,8)7(9-3,10-4)11-5/h8H2,1-5H3
InChIKeySTZHXBXPAYMHRF-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.32
Rot. Bonds4

About 1,1,1-trimethoxy-2-methylpropan-2-amine

1,1,1-trimethoxy-2-methylpropan-2-amine (PubChem CID 178171050) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1,1,1-trimethoxy-2-methylpropan-2-amine.

Molecular Properties

Compound Name1,1,1-trimethoxy-2-methylpropan-2-amine
PubChem CID178171050
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name1,1,1-trimethoxy-2-methylpropan-2-amine
SMILESCOC(OC)(OC)C(C)(C)N
InChIInChI=1S/C7H17NO3/c1-6(2,8)7(9-3,10-4)11-5/h8H2,1-5H3
InChIKeySTZHXBXPAYMHRF-UHFFFAOYSA-N
XLogP0.32
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydrazine;2-methoxy-2-methylpropane
CID 158568740
3-methoxy-2-methylpentane-2,3-diamine
CID 174500357
2-methoxybutan-2-amine
CID 21116415
1-methoxy-1-N',1-N'-dimethylethane-1,1-diamine
CID 174943740
2-methoxy-2-methylpropane;hydrate
CID 23212559
hydron;2-methoxy-2-methylpropane
CID 174107716
2,3-difluoro-2,3-dimethoxybutane
CID 174333179
2-iodo-3-methylbutane-2,3-diamine
CID 163792555
2,2-dimethoxypropane;methane
CID 162063722
1,1,1-trimethoxyethane;hydrochloride
CID 162313346
bis(2-methylpropan-2-amine);dihydrochloride
CID 175186319
CID 175795972
CID 175795972

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trimethoxy-2-methylpropan-2-amine?
The IUPAC name of 1,1,1-trimethoxy-2-methylpropan-2-amine (CID 178171050) is 1,1,1-trimethoxy-2-methylpropan-2-amine.
What is the SMILES notation for 1,1,1-trimethoxy-2-methylpropan-2-amine?
The canonical SMILES for 1,1,1-trimethoxy-2-methylpropan-2-amine is COC(OC)(OC)C(C)(C)N.
What is the InChIKey of 1,1,1-trimethoxy-2-methylpropan-2-amine?
The InChIKey is STZHXBXPAYMHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c1-6(2,8)7(9-3,10-4)11-5/h8H2,1-5H3.
What are the key properties of 1,1,1-trimethoxy-2-methylpropan-2-amine?
1,1,1-trimethoxy-2-methylpropan-2-amine has a molecular weight of 163.22 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trimethoxy-2-methylpropan-2-amine is sourced from PubChem (CID 178171050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).