1-hexan-2-yl-2,3-dimethylpiperidin-4-amine

C13H28N2 — CID 79407275

IUPAC1-hexan-2-yl-2,3-dimethylpiperidin-4-amine
SMILESCCCCC(C)N1CCC(N)C(C)C1C
InChIInChI=1S/C13H28N2/c1-5-6-7-10(2)15-9-8-13(14)11(3)12(15)4/h10-13H,5-9,14H2,1-4H3
InChIKeyVBULCRILTJQHDQ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.62
Rot. Bonds4

About 1-hexan-2-yl-2,3-dimethylpiperidin-4-amine

1-hexan-2-yl-2,3-dimethylpiperidin-4-amine (PubChem CID 79407275) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-hexan-2-yl-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-hexan-2-yl-2,3-dimethylpiperidin-4-amine
PubChem CID79407275
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-hexan-2-yl-2,3-dimethylpiperidin-4-amine
SMILESCCCCC(C)N1CCC(N)C(C)C1C
InChIInChI=1S/C13H28N2/c1-5-6-7-10(2)15-9-8-13(14)11(3)12(15)4/h10-13H,5-9,14H2,1-4H3
InChIKeyVBULCRILTJQHDQ-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-2,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-hexan-2-yl-2,3-dimethylpiperidin-4-amine (CID 79407275) is 1-hexan-2-yl-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-hexan-2-yl-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-hexan-2-yl-2,3-dimethylpiperidin-4-amine is CCCCC(C)N1CCC(N)C(C)C1C.
What is the InChIKey of 1-hexan-2-yl-2,3-dimethylpiperidin-4-amine?
The InChIKey is VBULCRILTJQHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-6-7-10(2)15-9-8-13(14)11(3)12(15)4/h10-13H,5-9,14H2,1-4H3.
What are the key properties of 1-hexan-2-yl-2,3-dimethylpiperidin-4-amine?
1-hexan-2-yl-2,3-dimethylpiperidin-4-amine has a molecular weight of 212.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79407275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).