[1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine

C18H36N2 — CID 106663109

IUPAC[1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
SMILESCC1CC(C)(C)CC1(CN)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H36N2/c1-14-11-17(5,6)12-18(14,13-19)20-9-7-15(8-10-20)16(2,3)4/h14-15H,7-13,19H2,1-6H3
InChIKeyMLSZJSOVIDGABS-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.90
Rot. Bonds2

About [1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine

[1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine (PubChem CID 106663109) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is [1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
PubChem CID106663109
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name[1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
SMILESCC1CC(C)(C)CC1(CN)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H36N2/c1-14-11-17(5,6)12-18(14,13-19)20-9-7-15(8-10-20)16(2,3)4/h14-15H,7-13,19H2,1-6H3
InChIKeyMLSZJSOVIDGABS-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine?
The IUPAC name of [1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine (CID 106663109) is [1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine.
What is the SMILES notation for [1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine?
The canonical SMILES for [1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine is CC1CC(C)(C)CC1(CN)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of [1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine?
The InChIKey is MLSZJSOVIDGABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-14-11-17(5,6)12-18(14,13-19)20-9-7-15(8-10-20)16(2,3)4/h14-15H,7-13,19H2,1-6H3.
What are the key properties of [1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine?
[1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine has a molecular weight of 280.50 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine is sourced from PubChem (CID 106663109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).