4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine

C18H36N2 — CID 63468858

IUPAC4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine
SMILESCCC1CCN(C2CC(C(C)(C)C)CCC2NC)CC1
InChIInChI=1S/C18H36N2/c1-6-14-9-11-20(12-10-14)17-13-15(18(2,3)4)7-8-16(17)19-5/h14-17,19H,6-13H2,1-5H3
InChIKeyJKXWKJUDORUZJD-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds3

About 4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine

4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine (PubChem CID 63468858) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine
PubChem CID63468858
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine
SMILESCCC1CCN(C2CC(C(C)(C)C)CCC2NC)CC1
InChIInChI=1S/C18H36N2/c1-6-14-9-11-20(12-10-14)17-13-15(18(2,3)4)7-8-16(17)19-5/h14-17,19H,6-13H2,1-5H3
InChIKeyJKXWKJUDORUZJD-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63470296
2-(4-tert-butylpiperidin-1-yl)-N,4-dimethylcyclohexan-1-amine
CID 62089516
2-(azepan-1-yl)-4-tert-butyl-N-propylcyclohexan-1-amine
CID 63466548
2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine
CID 55032625
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-N-methylcyclohexan-1-amine
CID 113335646
4-tert-butyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylcyclohexan-1-amine
CID 64575723
4-tert-butyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylcyclohexan-1-amine
CID 62887147
4-ethyl-N-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 63169906
4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 63514177
4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine
CID 62986422
4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 62614453
4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 63401489

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine (CID 63468858) is 4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine is CCC1CCN(C2CC(C(C)(C)C)CCC2NC)CC1.
What is the InChIKey of 4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine?
The InChIKey is JKXWKJUDORUZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-6-14-9-11-20(12-10-14)17-13-15(18(2,3)4)7-8-16(17)19-5/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine?
4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 63468858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).