N-(1-methoxy-3-methylbutan-2-yl)-2,6-dimethylpiperidin-1-amine

C13H28N2O — CID 83006627

IUPACN-(1-methoxy-3-methylbutan-2-yl)-2,6-dimethylpiperidin-1-amine
SMILESCOCC(NN1C(C)CCCC1C)C(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)13(9-16-5)14-15-11(3)7-6-8-12(15)4/h10-14H,6-9H2,1-5H3
InChIKeyVVQVZVJFBBYNRV-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.42
Rot. Bonds5

About N-(1-methoxy-3-methylbutan-2-yl)-2,6-dimethylpiperidin-1-amine

N-(1-methoxy-3-methylbutan-2-yl)-2,6-dimethylpiperidin-1-amine (PubChem CID 83006627) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-2,6-dimethylpiperidin-1-amine
PubChem CID83006627
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-2,6-dimethylpiperidin-1-amine
SMILESCOCC(NN1C(C)CCCC1C)C(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)13(9-16-5)14-15-11(3)7-6-8-12(15)4/h10-14H,6-9H2,1-5H3
InChIKeyVVQVZVJFBBYNRV-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-2,6-dimethylpiperidin-1-amine (CID 83006627) is N-(1-methoxy-3-methylbutan-2-yl)-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-2,6-dimethylpiperidin-1-amine is COCC(NN1C(C)CCCC1C)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-2,6-dimethylpiperidin-1-amine?
The InChIKey is VVQVZVJFBBYNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)13(9-16-5)14-15-11(3)7-6-8-12(15)4/h10-14H,6-9H2,1-5H3.
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-2,6-dimethylpiperidin-1-amine?
N-(1-methoxy-3-methylbutan-2-yl)-2,6-dimethylpiperidin-1-amine has a molecular weight of 228.38 g/mol, XLogP of 2.42, 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)-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 83006627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).