[4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine

C18H36N2 — CID 43584372

IUPAC[4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine
SMILESCCC1CCCN(C2(CN)CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C18H36N2/c1-5-15-7-6-12-20(13-15)18(14-19)10-8-16(9-11-18)17(2,3)4/h15-16H,5-14,19H2,1-4H3
InChIKeyWBPQFIKUZOIFBQ-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.04
Rot. Bonds3

About [4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine

[4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine (PubChem CID 43584372) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is [4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine
PubChem CID43584372
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name[4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine
SMILESCCC1CCCN(C2(CN)CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C18H36N2/c1-5-15-7-6-12-20(13-15)18(14-19)10-8-16(9-11-18)17(2,3)4/h15-16H,5-14,19H2,1-4H3
InChIKeyWBPQFIKUZOIFBQ-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-ethylpiperidin-1-yl)cyclooctyl]methanamine
CID 43584374
[4-tert-butyl-1-(3-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43079349
[4-tert-butyl-1-(3,4-dimethylpiperazin-1-yl)cycloheptyl]methanamine
CID 65089417
[3-cyclopropyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine
CID 64625427
(4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 29033800
[2-(3-ethylpiperidin-1-yl)-1,3-dihydroinden-2-yl]methanamine
CID 43809104
[1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755486
1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine
CID 65088382
[4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 63471161
[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine
CID 65084993
[1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429133
[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 63623138

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine (CID 43584372) is [4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine is CCC1CCCN(C2(CN)CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of [4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine?
The InChIKey is WBPQFIKUZOIFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-15-7-6-12-20(13-15)18(14-19)10-8-16(9-11-18)17(2,3)4/h15-16H,5-14,19H2,1-4H3.
What are the key properties of [4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine?
[4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine has a molecular weight of 280.50 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 43584372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).