N-ethyl-N-[[1-(4-methylcyclohexyl)piperidin-4-yl]methyl]ethanamine

C17H34N2 — CID 143632235

IUPACN-ethyl-N-[[1-(4-methylcyclohexyl)piperidin-4-yl]methyl]ethanamine
SMILESCCN(CC)CC1CCN(C2CCC(C)CC2)CC1
InChIInChI=1S/C17H34N2/c1-4-18(5-2)14-16-10-12-19(13-11-16)17-8-6-15(3)7-9-17/h15-17H,4-14H2,1-3H3
InChIKeyJBQMNBQDCDUBFZ-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.62
Rot. Bonds5

About N-ethyl-N-[[1-(4-methylcyclohexyl)piperidin-4-yl]methyl]ethanamine

N-ethyl-N-[[1-(4-methylcyclohexyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 143632235) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-ethyl-N-[[1-(4-methylcyclohexyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[1-(4-methylcyclohexyl)piperidin-4-yl]methyl]ethanamine
PubChem CID143632235
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-ethyl-N-[[1-(4-methylcyclohexyl)piperidin-4-yl]methyl]ethanamine
SMILESCCN(CC)CC1CCN(C2CCC(C)CC2)CC1
InChIInChI=1S/C17H34N2/c1-4-18(5-2)14-16-10-12-19(13-11-16)17-8-6-15(3)7-9-17/h15-17H,4-14H2,1-3H3
InChIKeyJBQMNBQDCDUBFZ-UHFFFAOYSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-(4-methylcyclohexyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[1-(4-methylcyclohexyl)piperidin-4-yl]methyl]ethanamine (CID 143632235) is N-ethyl-N-[[1-(4-methylcyclohexyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[1-(4-methylcyclohexyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[1-(4-methylcyclohexyl)piperidin-4-yl]methyl]ethanamine is CCN(CC)CC1CCN(C2CCC(C)CC2)CC1.
What is the InChIKey of N-ethyl-N-[[1-(4-methylcyclohexyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is JBQMNBQDCDUBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-18(5-2)14-16-10-12-19(13-11-16)17-8-6-15(3)7-9-17/h15-17H,4-14H2,1-3H3.
What are the key properties of N-ethyl-N-[[1-(4-methylcyclohexyl)piperidin-4-yl]methyl]ethanamine?
N-ethyl-N-[[1-(4-methylcyclohexyl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 266.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-(4-methylcyclohexyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 143632235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).