2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine

C17H34N2 — CID 112682550

IUPAC2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine
SMILESCC1(C)CC(N2CCCC(CCN)C2)CC(C)(C)C1
InChIInChI=1S/C17H34N2/c1-16(2)10-15(11-17(3,4)13-16)19-9-5-6-14(12-19)7-8-18/h14-15H,5-13,18H2,1-4H3
InChIKeyGJTHKIYVLWFMMF-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds3

About 2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine

2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine (PubChem CID 112682550) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine
PubChem CID112682550
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine
SMILESCC1(C)CC(N2CCCC(CCN)C2)CC(C)(C)C1
InChIInChI=1S/C17H34N2/c1-16(2)10-15(11-17(3,4)13-16)19-9-5-6-14(12-19)7-8-18/h14-15H,5-13,18H2,1-4H3
InChIKeyGJTHKIYVLWFMMF-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 ≤ 500266.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine (CID 112682550) is 2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine is CC1(C)CC(N2CCCC(CCN)C2)CC(C)(C)C1.
What is the InChIKey of 2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine?
The InChIKey is GJTHKIYVLWFMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-16(2)10-15(11-17(3,4)13-16)19-9-5-6-14(12-19)7-8-18/h14-15H,5-13,18H2,1-4H3.
What are the key properties of 2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine?
2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine has a molecular weight of 266.47 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-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 112682550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).