N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine

C12H26N2O — CID 65047718

IUPACN-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine
SMILESCOCC(NC1CCN(C)CC1)C(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)12(9-15-4)13-11-5-7-14(3)8-6-11/h10-13H,5-9H2,1-4H3
InChIKeyXEFUEEFQOLKWJC-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds5

About N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine

N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine (PubChem CID 65047718) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine
PubChem CID65047718
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine
SMILESCOCC(NC1CCN(C)CC1)C(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)12(9-15-4)13-11-5-7-14(3)8-6-11/h10-13H,5-9H2,1-4H3
InChIKeyXEFUEEFQOLKWJC-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine (CID 65047718) is N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine is COCC(NC1CCN(C)CC1)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine?
The InChIKey is XEFUEEFQOLKWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)12(9-15-4)13-11-5-7-14(3)8-6-11/h10-13H,5-9H2,1-4H3.
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine?
N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 65047718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).