2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine

C14H30N2 — CID 117021450

IUPAC2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine
SMILESCC(C)CCN1CC(CCN)CCC1(C)C
InChIInChI=1S/C14H30N2/c1-12(2)7-10-16-11-13(6-9-15)5-8-14(16,3)4/h12-13H,5-11,15H2,1-4H3
InChIKeyLXQGLYWBCKLNAP-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds5

About 2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine

2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine (PubChem CID 117021450) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine
PubChem CID117021450
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine
SMILESCC(C)CCN1CC(CCN)CCC1(C)C
InChIInChI=1S/C14H30N2/c1-12(2)7-10-16-11-13(6-9-15)5-8-14(16,3)4/h12-13H,5-11,15H2,1-4H3
InChIKeyLXQGLYWBCKLNAP-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(furan-2-ylmethyl)-6,6-dimethylpiperidin-3-yl]ethanamine
CID 117021440
1-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]piperazine
CID 117021707
2-(4-fluoro-4-methylcyclohexyl)ethanamine
CID 84650939
2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine
CID 117024798
2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine
CID 117018662
[2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine
CID 117019709
[4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine
CID 65393489
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250
2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid
CID 117021293
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066
2-[(3R)-1-propylpyrrolidin-3-yl]ethanamine
CID 86324396
2-(5-methyl-1-propan-2-ylpyrrolidin-3-yl)ethanamine
CID 83846190

Frequently Asked Questions

What is the IUPAC name of 2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine (CID 117021450) is 2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine is CC(C)CCN1CC(CCN)CCC1(C)C.
What is the InChIKey of 2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine?
The InChIKey is LXQGLYWBCKLNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)7-10-16-11-13(6-9-15)5-8-14(16,3)4/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine?
2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 117021450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).