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

C13H28N2 — CID 62330026

IUPAC1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-2-amine
SMILESCC(C)CC(N)CN1CCC(C)CC1C
InChIInChI=1S/C13H28N2/c1-10(2)7-13(14)9-15-6-5-11(3)8-12(15)4/h10-13H,5-9,14H2,1-4H3
InChIKeyYIZLPHIAIWSMBS-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds4

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

1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-2-amine (PubChem CID 62330026) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-2-amine
PubChem CID62330026
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-2-amine
SMILESCC(C)CC(N)CN1CCC(C)CC1C
InChIInChI=1S/C13H28N2/c1-10(2)7-13(14)9-15-6-5-11(3)8-12(15)4/h10-13H,5-9,14H2,1-4H3
InChIKeyYIZLPHIAIWSMBS-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-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-2-amine?
The IUPAC name of 1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-2-amine (CID 62330026) is 1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-2-amine.
What is the SMILES notation for 1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-2-amine?
The canonical SMILES for 1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-2-amine is CC(C)CC(N)CN1CCC(C)CC1C.
What is the InChIKey of 1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-2-amine?
The InChIKey is YIZLPHIAIWSMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)7-13(14)9-15-6-5-11(3)8-12(15)4/h10-13H,5-9,14H2,1-4H3.
What are the key properties of 1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-2-amine?
1-(2,4-dimethylpiperidin-1-yl)-4-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-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-2-amine is sourced from PubChem (CID 62330026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).