1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine

C17H35N3 — CID 104746276

IUPAC1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
SMILESCCNC(CN1CCN(C)C(CC)C1)C1CCCCC1
InChIInChI=1S/C17H35N3/c1-4-16-13-20(12-11-19(16)3)14-17(18-5-2)15-9-7-6-8-10-15/h15-18H,4-14H2,1-3H3
InChIKeyLWDMFSMKRVVQCR-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds6

About 1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine

1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine (PubChem CID 104746276) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
PubChem CID104746276
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
SMILESCCNC(CN1CCN(C)C(CC)C1)C1CCCCC1
InChIInChI=1S/C17H35N3/c1-4-16-13-20(12-11-19(16)3)14-17(18-5-2)15-9-7-6-8-10-15/h15-18H,4-14H2,1-3H3
InChIKeyLWDMFSMKRVVQCR-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine
CID 104746281
1-cyclopentyl-N-ethyl-2-(3-ethylpyrrolidin-1-yl)ethanamine
CID 104747000
1-cyclohexyl-2-(4-cyclopropylpiperazin-1-yl)-N-ethylethanamine
CID 104745275
1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 104746151
1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine
CID 104746000
1-cyclopentyl-N-ethyl-2-(2-methylmorpholin-4-yl)ethanamine
CID 104744367
1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 104746160
1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine
CID 104746455
1-cyclopentyl-N-ethyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 104746187
N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine
CID 55217199
1-cyclopropyl-N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethanamine
CID 114086713
1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-dimethylpiperidin-3-amine
CID 104746634

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine (CID 104746276) is 1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine is CCNC(CN1CCN(C)C(CC)C1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
The InChIKey is LWDMFSMKRVVQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-16-13-20(12-11-19(16)3)14-17(18-5-2)15-9-7-6-8-10-15/h15-18H,4-14H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 104746276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).