[2-(4-tert-butylpiperazin-1-yl)-4-ethylcyclohexyl]methanamine

C17H35N3 — CID 61430009

IUPAC[2-(4-tert-butylpiperazin-1-yl)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(N2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H35N3/c1-5-14-6-7-15(13-18)16(12-14)19-8-10-20(11-9-19)17(2,3)4/h14-16H,5-13,18H2,1-4H3
InChIKeyMBJJMOVHISVETK-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.56
Rot. Bonds3

About [2-(4-tert-butylpiperazin-1-yl)-4-ethylcyclohexyl]methanamine

[2-(4-tert-butylpiperazin-1-yl)-4-ethylcyclohexyl]methanamine (PubChem CID 61430009) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is [2-(4-tert-butylpiperazin-1-yl)-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylpiperazin-1-yl)-4-ethylcyclohexyl]methanamine
PubChem CID61430009
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name[2-(4-tert-butylpiperazin-1-yl)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(N2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H35N3/c1-5-14-6-7-15(13-18)16(12-14)19-8-10-20(11-9-19)17(2,3)4/h14-16H,5-13,18H2,1-4H3
InChIKeyMBJJMOVHISVETK-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-cyclohexylethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389041
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
I(2)-Cyclohexyl-4-methyl-1-piperazineethanamine
CID 16789275
Sdccgsbi-0662976.P001
CID 104744316
1-cyclohexyl-N-(2-piperidin-1-ylethyl)pentan-2-amine
CID 172451235
N',N'-bis(5-methyl-2-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 68621968
2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine
CID 75428008
(3S)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine
CID 176841621
(3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine
CID 176842019
[4-Ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
CID 62969098
[4-Propyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanamine
CID 65533052
[4-Propyl-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanamine
CID 65533840

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylpiperazin-1-yl)-4-ethylcyclohexyl]methanamine?
The IUPAC name of [2-(4-tert-butylpiperazin-1-yl)-4-ethylcyclohexyl]methanamine (CID 61430009) is [2-(4-tert-butylpiperazin-1-yl)-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [2-(4-tert-butylpiperazin-1-yl)-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [2-(4-tert-butylpiperazin-1-yl)-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)C(N2CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of [2-(4-tert-butylpiperazin-1-yl)-4-ethylcyclohexyl]methanamine?
The InChIKey is MBJJMOVHISVETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-5-14-6-7-15(13-18)16(12-14)19-8-10-20(11-9-19)17(2,3)4/h14-16H,5-13,18H2,1-4H3.
What are the key properties of [2-(4-tert-butylpiperazin-1-yl)-4-ethylcyclohexyl]methanamine?
[2-(4-tert-butylpiperazin-1-yl)-4-ethylcyclohexyl]methanamine has a molecular weight of 281.49 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylpiperazin-1-yl)-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 61430009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).