2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine

C14H30N2 — CID 117024798

IUPAC2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine
SMILESCC(C)CCN1CCC(CCN)C(C)(C)C1
InChIInChI=1S/C14H30N2/c1-12(2)6-9-16-10-7-13(5-8-15)14(3,4)11-16/h12-13H,5-11,15H2,1-4H3
InChIKeyOEMLWZQSYDVXJJ-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.73
Rot. Bonds5

About 2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine

2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine (PubChem CID 117024798) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine
PubChem CID117024798
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine
SMILESCC(C)CCN1CCC(CCN)C(C)(C)C1
InChIInChI=1S/C14H30N2/c1-12(2)6-9-16-10-7-13(5-8-15)14(3,4)11-16/h12-13H,5-11,15H2,1-4H3
InChIKeyOEMLWZQSYDVXJJ-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine
CID 117024779
2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine
CID 117024844
2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol
CID 117024655
2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine
CID 117024792
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine
CID 117021450
3-bromo-1-(3-methylbutyl)pyrrolidine
CID 80676511
3-iodo-1-(3-methylbutyl)pyrrolidine
CID 126716401
N-ethyl-N-methyl-1-(3-methylbutyl)piperidin-4-amine
CID 155404879
[2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine
CID 117019709
3-ethyl-1-(3-methylbutyl)piperidin-4-amine
CID 81457708
3-(2-bromoethyl)-1-(3-methylbutyl)pyrrolidine
CID 114800350

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine (CID 117024798) is 2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine is CC(C)CCN1CCC(CCN)C(C)(C)C1.
What is the InChIKey of 2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine?
The InChIKey is OEMLWZQSYDVXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)6-9-16-10-7-13(5-8-15)14(3,4)11-16/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine?
2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine has a molecular weight of 226.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 117024798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).