1-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]ethanamine

C18H36N2 — CID 63595307

IUPAC1-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]ethanamine
SMILESCCC(C)(C)C1CCC(N2CCC(C(C)N)CC2)CC1
InChIInChI=1S/C18H36N2/c1-5-18(3,4)16-6-8-17(9-7-16)20-12-10-15(11-13-20)14(2)19/h14-17H,5-13,19H2,1-4H3
InChIKeyFUPYHBWYAUSZHY-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.04
Rot. Bonds4

About 1-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]ethanamine

1-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]ethanamine (PubChem CID 63595307) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]ethanamine
PubChem CID63595307
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]ethanamine
SMILESCCC(C)(C)C1CCC(N2CCC(C(C)N)CC2)CC1
InChIInChI=1S/C18H36N2/c1-5-18(3,4)16-6-8-17(9-7-16)20-12-10-15(11-13-20)14(2)19/h14-17H,5-13,19H2,1-4H3
InChIKeyFUPYHBWYAUSZHY-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-[1-(4-propylcyclohexyl)piperidin-4-yl]ethanamine
CID 63595644
1-(1-cyclobutylpiperidin-4-yl)ethanamine
CID 63935984
1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine
CID 65086223
1-(1-cyclohexylpiperidin-4-yl)ethanamine
CID 63594620
N,4-dimethyl-1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-amine
CID 115304011
6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 170226749
1-[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]ethanamine
CID 103975462
1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine
CID 65085464
1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine
CID 104575640
1-[1-(thiolan-3-yl)piperidin-4-yl]ethanamine
CID 63595824
1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
CID 57162506
1-(1-cyclooctylpyrrolidin-3-yl)ethanamine
CID 103975759

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]ethanamine (CID 63595307) is 1-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]ethanamine is CCC(C)(C)C1CCC(N2CCC(C(C)N)CC2)CC1.
What is the InChIKey of 1-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]ethanamine?
The InChIKey is FUPYHBWYAUSZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-18(3,4)16-6-8-17(9-7-16)20-12-10-15(11-13-20)14(2)19/h14-17H,5-13,19H2,1-4H3.
What are the key properties of 1-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]ethanamine?
1-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]ethanamine has a molecular weight of 280.50 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 63595307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).