1-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidin-4-amine

C13H28N2 — CID 104828479

IUPAC1-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidin-4-amine
SMILESCNC1CCN(C(C)C(C)(C)C)C(C)C1
InChIInChI=1S/C13H28N2/c1-10-9-12(14-6)7-8-15(10)11(2)13(3,4)5/h10-12,14H,7-9H2,1-6H3
InChIKeyNXDUTZVJLHJWSG-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds2

About 1-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidin-4-amine

1-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidin-4-amine (PubChem CID 104828479) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidin-4-amine
PubChem CID104828479
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidin-4-amine
SMILESCNC1CCN(C(C)C(C)(C)C)C(C)C1
InChIInChI=1S/C13H28N2/c1-10-9-12(14-6)7-8-15(10)11(2)13(3,4)5/h10-12,14H,7-9H2,1-6H3
InChIKeyNXDUTZVJLHJWSG-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidin-4-amine?
The IUPAC name of 1-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidin-4-amine (CID 104828479) is 1-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidin-4-amine is CNC1CCN(C(C)C(C)(C)C)C(C)C1.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidin-4-amine?
The InChIKey is NXDUTZVJLHJWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10-9-12(14-6)7-8-15(10)11(2)13(3,4)5/h10-12,14H,7-9H2,1-6H3.
What are the key properties of 1-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidin-4-amine?
1-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidin-4-amine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 104828479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).