[1-(4-tert-butylpiperidin-1-yl)-3-ethylcyclopentyl]methanamine

C17H34N2 — CID 64500544

IUPAC[1-(4-tert-butylpiperidin-1-yl)-3-ethylcyclopentyl]methanamine
SMILESCCC1CCC(CN)(N2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H34N2/c1-5-14-6-9-17(12-14,13-18)19-10-7-15(8-11-19)16(2,3)4/h14-15H,5-13,18H2,1-4H3
InChIKeyDNOPGIRWFTYUEA-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds3

About [1-(4-tert-butylpiperidin-1-yl)-3-ethylcyclopentyl]methanamine

[1-(4-tert-butylpiperidin-1-yl)-3-ethylcyclopentyl]methanamine (PubChem CID 64500544) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is [1-(4-tert-butylpiperidin-1-yl)-3-ethylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-tert-butylpiperidin-1-yl)-3-ethylcyclopentyl]methanamine
PubChem CID64500544
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name[1-(4-tert-butylpiperidin-1-yl)-3-ethylcyclopentyl]methanamine
SMILESCCC1CCC(CN)(N2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H34N2/c1-5-14-6-9-17(12-14,13-18)19-10-7-15(8-11-19)16(2,3)4/h14-15H,5-13,18H2,1-4H3
InChIKeyDNOPGIRWFTYUEA-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.65
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)-3-ethylcyclopentyl]methanamine?
The IUPAC name of [1-(4-tert-butylpiperidin-1-yl)-3-ethylcyclopentyl]methanamine (CID 64500544) is [1-(4-tert-butylpiperidin-1-yl)-3-ethylcyclopentyl]methanamine.
What is the SMILES notation for [1-(4-tert-butylpiperidin-1-yl)-3-ethylcyclopentyl]methanamine?
The canonical SMILES for [1-(4-tert-butylpiperidin-1-yl)-3-ethylcyclopentyl]methanamine is CCC1CCC(CN)(N2CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of [1-(4-tert-butylpiperidin-1-yl)-3-ethylcyclopentyl]methanamine?
The InChIKey is DNOPGIRWFTYUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-14-6-9-17(12-14,13-18)19-10-7-15(8-11-19)16(2,3)4/h14-15H,5-13,18H2,1-4H3.
What are the key properties of [1-(4-tert-butylpiperidin-1-yl)-3-ethylcyclopentyl]methanamine?
[1-(4-tert-butylpiperidin-1-yl)-3-ethylcyclopentyl]methanamine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 3 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)-3-ethylcyclopentyl]methanamine is sourced from PubChem (CID 64500544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).