2-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbutan-1-amine

C12H26N2O — CID 107391081

IUPAC2-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbutan-1-amine
SMILESCCC(C)(CN)N1CCCC(C)(OC)C1
InChIInChI=1S/C12H26N2O/c1-5-11(2,9-13)14-8-6-7-12(3,10-14)15-4/h5-10,13H2,1-4H3
InChIKeyBLSMYPQXXJLTQR-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds4

About 2-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbutan-1-amine

2-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbutan-1-amine (PubChem CID 107391081) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbutan-1-amine
PubChem CID107391081
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbutan-1-amine
SMILESCCC(C)(CN)N1CCCC(C)(OC)C1
InChIInChI=1S/C12H26N2O/c1-5-11(2,9-13)14-8-6-7-12(3,10-14)15-4/h5-10,13H2,1-4H3
InChIKeyBLSMYPQXXJLTQR-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine
CID 107391280
2-cyclopropyl-3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
CID 107391339
2-(azocan-1-yl)-2-methylbutan-1-amine
CID 43211839
2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66181206
1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol
CID 107396020
2-methyl-2-(3-methylpiperidin-1-yl)butan-1-amine
CID 24693649
[1-(3-methoxy-3-methylpiperidin-1-yl)cyclobutyl]methanamine
CID 107391366
2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
CID 107391572
3-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropane-1-thiol
CID 107396246
N'-ethyl-3-methoxy-3-methylpiperidine-1-carboximidamide
CID 107393146
4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 107395195
3-methoxy-N',3-dimethylpiperidine-1-carboximidamide
CID 107393147

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbutan-1-amine?
The IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbutan-1-amine (CID 107391081) is 2-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 2-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbutan-1-amine?
The canonical SMILES for 2-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbutan-1-amine is CCC(C)(CN)N1CCCC(C)(OC)C1.
What is the InChIKey of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbutan-1-amine?
The InChIKey is BLSMYPQXXJLTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-11(2,9-13)14-8-6-7-12(3,10-14)15-4/h5-10,13H2,1-4H3.
What are the key properties of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbutan-1-amine?
2-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbutan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 107391081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).