1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine

C15H30N2 — CID 63863007

IUPAC1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine
SMILESCCC1CCCCC1N1CCC(C(C)N)CC1
InChIInChI=1S/C15H30N2/c1-3-13-6-4-5-7-15(13)17-10-8-14(9-11-17)12(2)16/h12-15H,3-11,16H2,1-2H3
InChIKeyKMUQAXSYYQBVIQ-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.01
Rot. Bonds3

About 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine

1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine (PubChem CID 63863007) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine
PubChem CID63863007
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine
SMILESCCC1CCCCC1N1CCC(C(C)N)CC1
InChIInChI=1S/C15H30N2/c1-3-13-6-4-5-7-15(13)17-10-8-14(9-11-17)12(2)16/h12-15H,3-11,16H2,1-2H3
InChIKeyKMUQAXSYYQBVIQ-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine (CID 63863007) is 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine is CCC1CCCCC1N1CCC(C(C)N)CC1.
What is the InChIKey of 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine?
The InChIKey is KMUQAXSYYQBVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-13-6-4-5-7-15(13)17-10-8-14(9-11-17)12(2)16/h12-15H,3-11,16H2,1-2H3.
What are the key properties of 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine?
1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine has a molecular weight of 238.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 63863007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).