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

C15H32N2 — CID 55098567

IUPAC1-(2,3-dimethylpiperidin-1-yl)-N,4,4-trimethylpentan-3-amine
SMILESCNC(CCN1CCCC(C)C1C)C(C)(C)C
InChIInChI=1S/C15H32N2/c1-12-8-7-10-17(13(12)2)11-9-14(16-6)15(3,4)5/h12-14,16H,7-11H2,1-6H3
InChIKeyBARIZKXBRWHSDM-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds4

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

1-(2,3-dimethylpiperidin-1-yl)-N,4,4-trimethylpentan-3-amine (PubChem CID 55098567) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperidin-1-yl)-N,4,4-trimethylpentan-3-amine.

Molecular Properties

Compound Name1-(2,3-dimethylpiperidin-1-yl)-N,4,4-trimethylpentan-3-amine
PubChem CID55098567
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-(2,3-dimethylpiperidin-1-yl)-N,4,4-trimethylpentan-3-amine
SMILESCNC(CCN1CCCC(C)C1C)C(C)(C)C
InChIInChI=1S/C15H32N2/c1-12-8-7-10-17(13(12)2)11-9-14(16-6)15(3,4)5/h12-14,16H,7-11H2,1-6H3
InChIKeyBARIZKXBRWHSDM-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)-N,4,4-trimethylpentan-3-amine?
The IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)-N,4,4-trimethylpentan-3-amine (CID 55098567) is 1-(2,3-dimethylpiperidin-1-yl)-N,4,4-trimethylpentan-3-amine.
What is the SMILES notation for 1-(2,3-dimethylpiperidin-1-yl)-N,4,4-trimethylpentan-3-amine?
The canonical SMILES for 1-(2,3-dimethylpiperidin-1-yl)-N,4,4-trimethylpentan-3-amine is CNC(CCN1CCCC(C)C1C)C(C)(C)C.
What is the InChIKey of 1-(2,3-dimethylpiperidin-1-yl)-N,4,4-trimethylpentan-3-amine?
The InChIKey is BARIZKXBRWHSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-12-8-7-10-17(13(12)2)11-9-14(16-6)15(3,4)5/h12-14,16H,7-11H2,1-6H3.
What are the key properties of 1-(2,3-dimethylpiperidin-1-yl)-N,4,4-trimethylpentan-3-amine?
1-(2,3-dimethylpiperidin-1-yl)-N,4,4-trimethylpentan-3-amine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperidin-1-yl)-N,4,4-trimethylpentan-3-amine is sourced from PubChem (CID 55098567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).