2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine

C16H34N4 — CID 79533305

IUPAC2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(CC2CCC(CN)CC2)CC1
InChIInChI=1S/C16H34N4/c1-18(2)7-8-19-9-11-20(12-10-19)14-16-5-3-15(13-17)4-6-16/h15-16H,3-14,17H2,1-2H3
InChIKeyUEQVXEQYKVZBHE-UHFFFAOYSA-N
MW282.48 g/mol
LogP0.93
Rot. Bonds6

About 2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 79533305) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID79533305
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(CC2CCC(CN)CC2)CC1
InChIInChI=1S/C16H34N4/c1-18(2)7-8-19-9-11-20(12-10-19)14-16-5-3-15(13-17)4-6-16/h15-16H,3-14,17H2,1-2H3
InChIKeyUEQVXEQYKVZBHE-UHFFFAOYSA-N
XLogP0.93
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

[1-(cyclopropylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 163375972
2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine
CID 117005638
N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine
CID 62887185
[4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79527221
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine
CID 62888860
N,N-dimethyl-2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanamine
CID 79383942
1-cyclopropyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine
CID 63913476
1-(cyclopropylmethyl)-N,N-dimethylpiperidin-4-amine
CID 121338360
1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 64821152
2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine
CID 117024844
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734682

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine (CID 79533305) is 2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCN(CC2CCC(CN)CC2)CC1.
What is the InChIKey of 2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is UEQVXEQYKVZBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-18(2)7-8-19-9-11-20(12-10-19)14-16-5-3-15(13-17)4-6-16/h15-16H,3-14,17H2,1-2H3.
What are the key properties of 2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 282.48 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 79533305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).