1-(4,4-dimethylpiperidin-1-yl)-3-methylpentan-2-amine

C13H28N2 — CID 62932695

IUPAC1-(4,4-dimethylpiperidin-1-yl)-3-methylpentan-2-amine
SMILESCCC(C)C(N)CN1CCC(C)(C)CC1
InChIInChI=1S/C13H28N2/c1-5-11(2)12(14)10-15-8-6-13(3,4)7-9-15/h11-12H,5-10,14H2,1-4H3
InChIKeyVQBJGTZYSDBTLI-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds4

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

1-(4,4-dimethylpiperidin-1-yl)-3-methylpentan-2-amine (PubChem CID 62932695) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidin-1-yl)-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4,4-dimethylpiperidin-1-yl)-3-methylpentan-2-amine
PubChem CID62932695
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-(4,4-dimethylpiperidin-1-yl)-3-methylpentan-2-amine
SMILESCCC(C)C(N)CN1CCC(C)(C)CC1
InChIInChI=1S/C13H28N2/c1-5-11(2)12(14)10-15-8-6-13(3,4)7-9-15/h11-12H,5-10,14H2,1-4H3
InChIKeyVQBJGTZYSDBTLI-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-3-methylpentan-2-amine?
The IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-3-methylpentan-2-amine (CID 62932695) is 1-(4,4-dimethylpiperidin-1-yl)-3-methylpentan-2-amine.
What is the SMILES notation for 1-(4,4-dimethylpiperidin-1-yl)-3-methylpentan-2-amine?
The canonical SMILES for 1-(4,4-dimethylpiperidin-1-yl)-3-methylpentan-2-amine is CCC(C)C(N)CN1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylpiperidin-1-yl)-3-methylpentan-2-amine?
The InChIKey is VQBJGTZYSDBTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-11(2)12(14)10-15-8-6-13(3,4)7-9-15/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 1-(4,4-dimethylpiperidin-1-yl)-3-methylpentan-2-amine?
1-(4,4-dimethylpiperidin-1-yl)-3-methylpentan-2-amine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpiperidin-1-yl)-3-methylpentan-2-amine is sourced from PubChem (CID 62932695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).