1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine

C18H37N3 — CID 104745397

IUPAC1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine
SMILESCCNC(CN1CCC(CN(C)C)CC1)C1CCCCC1
InChIInChI=1S/C18H37N3/c1-4-19-18(17-8-6-5-7-9-17)15-21-12-10-16(11-13-21)14-20(2)3/h16-19H,4-15H2,1-3H3
InChIKeyGGFDFKBPANVUNJ-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.82
Rot. Bonds7

About 1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine

1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine (PubChem CID 104745397) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine
PubChem CID104745397
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine
SMILESCCNC(CN1CCC(CN(C)C)CC1)C1CCCCC1
InChIInChI=1S/C18H37N3/c1-4-19-18(17-8-6-5-7-9-17)15-21-12-10-16(11-13-21)14-20(2)3/h16-19H,4-15H2,1-3H3
InChIKeyGGFDFKBPANVUNJ-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-cyclopentyl-2-(ethylamino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 104744906
1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine
CID 104746455
1-cyclohexyl-N-ethyl-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 104746414
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-(3-ethylpyrrolidin-1-yl)ethanamine
CID 104747000
1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine
CID 104746470
1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine
CID 104746295
1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 104746160
1-cyclohexyl-2-(4-cyclopropylpiperazin-1-yl)-N-ethylethanamine
CID 104745275
1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-dimethylpiperidin-3-amine
CID 104746634
1-cyclopentyl-N-ethyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 104746187

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine?
The IUPAC name of 1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine (CID 104745397) is 1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine.
What is the SMILES notation for 1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine?
The canonical SMILES for 1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine is CCNC(CN1CCC(CN(C)C)CC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine?
The InChIKey is GGFDFKBPANVUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-4-19-18(17-8-6-5-7-9-17)15-21-12-10-16(11-13-21)14-20(2)3/h16-19H,4-15H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine?
1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine has a molecular weight of 295.51 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine is sourced from PubChem (CID 104745397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).