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

C16H32N2 — CID 64500545

IUPAC[1-(4-tert-butylpiperidin-1-yl)-3-methylcyclopentyl]methanamine
SMILESCC1CCC(CN)(N2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C16H32N2/c1-13-5-8-16(11-13,12-17)18-9-6-14(7-10-18)15(2,3)4/h13-14H,5-12,17H2,1-4H3
InChIKeySDHYUWILJGLOAR-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds2

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

[1-(4-tert-butylpiperidin-1-yl)-3-methylcyclopentyl]methanamine (PubChem CID 64500545) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is [1-(4-tert-butylpiperidin-1-yl)-3-methylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-tert-butylpiperidin-1-yl)-3-methylcyclopentyl]methanamine
PubChem CID64500545
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name[1-(4-tert-butylpiperidin-1-yl)-3-methylcyclopentyl]methanamine
SMILESCC1CCC(CN)(N2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C16H32N2/c1-13-5-8-16(11-13,12-17)18-9-6-14(7-10-18)15(2,3)4/h13-14H,5-12,17H2,1-4H3
InChIKeySDHYUWILJGLOAR-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.26
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-methylcyclopentyl]methanamine?
The IUPAC name of [1-(4-tert-butylpiperidin-1-yl)-3-methylcyclopentyl]methanamine (CID 64500545) is [1-(4-tert-butylpiperidin-1-yl)-3-methylcyclopentyl]methanamine.
What is the SMILES notation for [1-(4-tert-butylpiperidin-1-yl)-3-methylcyclopentyl]methanamine?
The canonical SMILES for [1-(4-tert-butylpiperidin-1-yl)-3-methylcyclopentyl]methanamine is CC1CCC(CN)(N2CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of [1-(4-tert-butylpiperidin-1-yl)-3-methylcyclopentyl]methanamine?
The InChIKey is SDHYUWILJGLOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13-5-8-16(11-13,12-17)18-9-6-14(7-10-18)15(2,3)4/h13-14H,5-12,17H2,1-4H3.
What are the key properties of [1-(4-tert-butylpiperidin-1-yl)-3-methylcyclopentyl]methanamine?
[1-(4-tert-butylpiperidin-1-yl)-3-methylcyclopentyl]methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.26, 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)-3-methylcyclopentyl]methanamine is sourced from PubChem (CID 64500545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).