[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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Related Compounds

[2,4,4-Trimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
CID 106662971
[1-Methyl-3-(3,4,4,5-tetramethylpiperidin-1-yl)cyclopentyl]methanamine
CID 59888760
1-Tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine
CID 135165058
1-[6-(3-Ethylcyclopentyl)-2,3,3,4,5-pentamethylheptan-2-yl]-4-methylpiperazine
CID 142367378
trans-(1R,2S)-3-[2-amino-6-(2,2-dimethylpiperidin-1-yl)hexan-2-yl]-1-[(1S)-1-aminoethyl]-2-(3-aminopropyl)-2-methylcyclopentan-1-amine
CID 169802620
1-Methyl-4-(1,2,3,3-tetramethylcyclopentyl)piperazine
CID 170240061
[1-(4-Tert-butylpiperidin-1-yl)cyclohexyl]methanamine
CID 55032529
2-(8-Azaspiro[4.5]decan-8-yl)-3-methylhexan-1-amine
CID 55165256
2-(4-Tert-butylpiperidin-1-yl)-2-cyclopentylethanamine
CID 62089503
[1-(4-Tert-butylpiperidin-1-yl)cyclopentyl]methanamine
CID 62089859
2-(4-Cyclopentylpiperazin-1-yl)-2-ethyl-4-methylhexan-1-amine
CID 62368087
2-(8-Azaspiro[4.5]decan-8-yl)-2,3-dimethylbutan-1-amine
CID 63156879

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).