2-tert-butyl-2-(methoxymethyl)-N,3,3-trimethylbutan-1-amine

C13H29NO — CID 139652104

IUPAC2-tert-butyl-2-(methoxymethyl)-N,3,3-trimethylbutan-1-amine
SMILESCNCC(COC)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-11(2,3)13(9-14-7,10-15-8)12(4,5)6/h14H,9-10H2,1-8H3
InChIKeyVGZUETQIKYXVLD-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.93
Rot. Bonds4

About 2-tert-butyl-2-(methoxymethyl)-N,3,3-trimethylbutan-1-amine

2-tert-butyl-2-(methoxymethyl)-N,3,3-trimethylbutan-1-amine (PubChem CID 139652104) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-tert-butyl-2-(methoxymethyl)-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-2-(methoxymethyl)-N,3,3-trimethylbutan-1-amine
PubChem CID139652104
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-tert-butyl-2-(methoxymethyl)-N,3,3-trimethylbutan-1-amine
SMILESCNCC(COC)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-11(2,3)13(9-14-7,10-15-8)12(4,5)6/h14H,9-10H2,1-8H3
InChIKeyVGZUETQIKYXVLD-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride
CID 71757519
2-tert-butyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine
CID 139652115
2-cyclopentyl-2-(methoxymethyl)-N,3,3-trimethylbutan-1-amine
CID 139968980
3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine
CID 103181128
2-(methoxymethyl)-N-methyl-2-propyldecan-1-amine
CID 139968871
1-methoxy-2,2-dimethylpropane
CID 160639316
1-(1-methoxy-2-methylpropan-2-yl)-3-methylurea
CID 115690659
2,3,3-trimethyl-1-(methylamino)butan-2-ol
CID 80559172
3,3,3-trifluoro-2-methoxy-N,2-dimethylpropan-1-amine
CID 105434677
2-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylpropan-1-amine
CID 104566505
2-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843554
1-methoxy-2,2-dimethylpropane;molecular hydrogen
CID 167547709

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-(methoxymethyl)-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 2-tert-butyl-2-(methoxymethyl)-N,3,3-trimethylbutan-1-amine (CID 139652104) is 2-tert-butyl-2-(methoxymethyl)-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 2-tert-butyl-2-(methoxymethyl)-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 2-tert-butyl-2-(methoxymethyl)-N,3,3-trimethylbutan-1-amine is CNCC(COC)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2-(methoxymethyl)-N,3,3-trimethylbutan-1-amine?
The InChIKey is VGZUETQIKYXVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-11(2,3)13(9-14-7,10-15-8)12(4,5)6/h14H,9-10H2,1-8H3.
What are the key properties of 2-tert-butyl-2-(methoxymethyl)-N,3,3-trimethylbutan-1-amine?
2-tert-butyl-2-(methoxymethyl)-N,3,3-trimethylbutan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-(methoxymethyl)-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 139652104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).