2-[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine

C17H28N2 — CID 117020560

IUPAC2-[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine
SMILESCc1cccc(C)c1N1CCC(CCN)CC1(C)C
InChIInChI=1S/C17H28N2/c1-13-6-5-7-14(2)16(13)19-11-9-15(8-10-18)12-17(19,3)4/h5-7,15H,8-12,18H2,1-4H3
InChIKeyRHCXXZAOVXGPDF-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.65
Rot. Bonds3

About 2-[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine

2-[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine (PubChem CID 117020560) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine
PubChem CID117020560
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2-[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine
SMILESCc1cccc(C)c1N1CCC(CCN)CC1(C)C
InChIInChI=1S/C17H28N2/c1-13-6-5-7-14(2)16(13)19-11-9-15(8-10-18)12-17(19,3)4/h5-7,15H,8-12,18H2,1-4H3
InChIKeyRHCXXZAOVXGPDF-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020695
2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine
CID 117020563
[1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020696
[2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine
CID 117020616
2-[1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]acetonitrile
CID 117020501
[1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine
CID 117020618
2,2-dimethyl-1-(2-methylphenyl)piperidin-4-amine
CID 117020100
1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one
CID 117020027
2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine
CID 117020528
2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine
CID 117018668
2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol
CID 117020439
2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106817832

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine (CID 117020560) is 2-[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine is Cc1cccc(C)c1N1CCC(CCN)CC1(C)C.
What is the InChIKey of 2-[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine?
The InChIKey is RHCXXZAOVXGPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-6-5-7-14(2)16(13)19-11-9-15(8-10-18)12-17(19,3)4/h5-7,15H,8-12,18H2,1-4H3.
What are the key properties of 2-[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine?
2-[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine has a molecular weight of 260.42 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine is sourced from PubChem (CID 117020560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).