[1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine

C16H33N3 — CID 79847299

IUPAC[1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine
SMILESCCC1CN(C2(CN)CCCCC2(C)C)CCN1C
InChIInChI=1S/C16H33N3/c1-5-14-12-19(11-10-18(14)4)16(13-17)9-7-6-8-15(16,2)3/h14H,5-13,17H2,1-4H3
InChIKeyCRYRBQARVDLMEY-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds3

About [1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine

[1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine (PubChem CID 79847299) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is [1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine
PubChem CID79847299
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name[1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine
SMILESCCC1CN(C2(CN)CCCCC2(C)C)CCN1C
InChIInChI=1S/C16H33N3/c1-5-14-12-19(11-10-18(14)4)16(13-17)9-7-6-8-15(16,2)3/h14H,5-13,17H2,1-4H3
InChIKeyCRYRBQARVDLMEY-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79857357
[1-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79847121
[1-(2-ethylpyrrolidin-1-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79836663
1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 79847823
[1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562910
[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79856298
(2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 79834604
[1-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79858011
[2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 79857129
[2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 79834112
[2,2-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 79857355
1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464444

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine (CID 79847299) is [1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine is CCC1CN(C2(CN)CCCCC2(C)C)CCN1C.
What is the InChIKey of [1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine?
The InChIKey is CRYRBQARVDLMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-14-12-19(11-10-18(14)4)16(13-17)9-7-6-8-15(16,2)3/h14H,5-13,17H2,1-4H3.
What are the key properties of [1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine?
[1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 79847299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).